smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)CCN[C@@]1(C#N)CCC[C@@H](C(F)(F)F)C1 ZINC000069384728 520690696 /nfs/dbraw/zinc/69/06/96/520690696.db2.gz SGNFNROKUQUHLF-OLZOCXBDSA-N 0 3 291.361 2.933 10 30 CFEEHN CN(C)CCN[C@@H](C#N)c1csc2ccccc12 ZINC000054464806 521789340 /nfs/dbraw/zinc/78/93/40/521789340.db2.gz QUVAKXRPBQSRRG-ZDUSSCGKSA-N 0 3 259.378 2.617 10 30 CFEEHN Cc1cc(N[C@H](C)CN2CCCCC2)c(C#N)c(C)n1 ZINC000156558829 525300756 /nfs/dbraw/zinc/30/07/56/525300756.db2.gz RIFZQUZBGYMFNB-CYBMUJFWSA-N 0 3 272.396 2.856 10 30 CFEEHN C#CCCNCc1ccc(Br)cc1F ZINC000069768028 625218668 /nfs/dbraw/zinc/21/86/68/625218668.db2.gz VPESARBZRPFVST-UHFFFAOYSA-N 0 3 256.118 2.701 10 30 CFEEHN C=C(C)COCCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000090450775 260259443 /nfs/dbraw/zinc/25/94/43/260259443.db2.gz GGIDUNGFAPALAP-LBPRGKRZSA-N 0 3 265.401 2.763 10 30 CFEEHN CC[C@H](O)CCN(CCCC#N)Cc1ccccc1 ZINC000039080403 346341423 /nfs/dbraw/zinc/34/14/23/346341423.db2.gz VQMUXIUYGPEKME-INIZCTEOSA-N 0 3 260.381 2.953 10 30 CFEEHN CNC(=N)Nc1c(Cl)cc(Br)cc1Cl ZINC000052069060 346511598 /nfs/dbraw/zinc/51/15/98/346511598.db2.gz ZURRMAFNZFQHSF-UHFFFAOYSA-N 0 3 296.983 2.922 10 30 CFEEHN CC(C)[C@H](N)C#Cc1c[nH]c2cncc(Br)c12 ZINC000725246401 539561089 /nfs/dbraw/zinc/56/10/89/539561089.db2.gz ZDUHFVWAAUUMBT-LLVKDONJSA-N 0 3 292.180 2.660 10 30 CFEEHN CC(C)[N+]([O-])=C[C@@H](O)COc1cccc2ccccc21 ZINC000111440100 347754353 /nfs/dbraw/zinc/75/43/53/347754353.db2.gz HZIWJRLPDPBUQJ-NGWPFTMJSA-N 0 3 273.332 2.569 10 30 CFEEHN NCC#Cc1ccc(F)cc1OCc1ccccc1 ZINC000133388238 347891789 /nfs/dbraw/zinc/89/17/89/347891789.db2.gz FICIXJJVRCVTQT-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN C=C[C@@H](N)c1sccc1I ZINC000238578596 348247958 /nfs/dbraw/zinc/24/79/58/348247958.db2.gz GEDNUCOXSDTZSH-ZCFIWIBFSA-N 0 3 265.119 2.539 10 30 CFEEHN Cc1cc(C#N)ccc1CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000251883625 348294892 /nfs/dbraw/zinc/29/48/92/348294892.db2.gz VOKDTMDKSZUDBW-ZWKOTPCHSA-N 0 3 284.403 2.994 10 30 CFEEHN CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCc2nccn2C1 ZINC000328643521 348441746 /nfs/dbraw/zinc/44/17/46/348441746.db2.gz RIKVHQDZIGXHJJ-ZDUSSCGKSA-N 0 3 298.365 2.588 10 30 CFEEHN C=C[C@@H](CCOCC)NCCOc1ccccc1OC ZINC000584620291 348691754 /nfs/dbraw/zinc/69/17/54/348691754.db2.gz ASPPZRKYARCOMI-AWEZNQCLSA-N 0 3 279.380 2.645 10 30 CFEEHN C=CCN1CCC(c2cccc(O)c2)([C@@H](O)CC)CC1 ZINC000584637103 348698874 /nfs/dbraw/zinc/69/88/74/348698874.db2.gz UHLLKWZHQAZXAS-INIZCTEOSA-N 0 3 275.392 2.683 10 30 CFEEHN Cc1ccc(CN2CCC[C@H]2CCCO)cc1C#N ZINC000599282148 350406131 /nfs/dbraw/zinc/40/61/31/350406131.db2.gz OFACADVLPQPEQS-INIZCTEOSA-N 0 3 258.365 2.604 10 30 CFEEHN N#Cc1cccc([C@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000616633097 352393496 /nfs/dbraw/zinc/39/34/96/352393496.db2.gz IJAJDSROBGPBBZ-GOSISDBHSA-N 0 3 277.371 2.705 10 30 CFEEHN CC(C)(C)N1CCOC[C@H](c2ccccc2C#N)C1 ZINC000616660749 352402579 /nfs/dbraw/zinc/40/25/79/352402579.db2.gz PXFXRJPHXQIUIJ-CQSZACIVSA-N 0 3 258.365 2.773 10 30 CFEEHN Cc1cc(NCCN2CCC[C@@H](C)C2)c(C#N)c(C)n1 ZINC000301812279 201212130 /nfs/dbraw/zinc/21/21/30/201212130.db2.gz ZZJJTHYGDVLOKQ-GFCCVEGCSA-N 0 3 272.396 2.714 10 30 CFEEHN CCCCCCCCC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116787870 376205773 /nfs/dbraw/zinc/20/57/73/376205773.db2.gz IUISFMQCNXBLRZ-HNNXBMFYSA-N 0 3 284.444 2.526 10 30 CFEEHN C=CCC1(CC=C)C(=O)OC[C@H]1NCc1ccccc1 ZINC000013558756 372032469 /nfs/dbraw/zinc/03/24/69/372032469.db2.gz XZMFDOKRMTYFNG-OAHLLOKOSA-N 0 3 271.360 2.840 10 30 CFEEHN CCN1CCC[C@H]1CN(C)c1ccc(C#N)cc1F ZINC000092631309 375132540 /nfs/dbraw/zinc/13/25/40/375132540.db2.gz XMBCPMQQIWUACM-ZDUSSCGKSA-N 0 3 261.344 2.618 10 30 CFEEHN C=CCC[C@@H](O)CN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000124958477 377104090 /nfs/dbraw/zinc/10/40/90/377104090.db2.gz HAFYCYIQXIWBCE-ZIAGYGMSSA-N 0 3 280.437 2.958 10 30 CFEEHN Cn1cc([C@H]2CCCN2CC(C)(C)CCC#N)cn1 ZINC000131976726 377785930 /nfs/dbraw/zinc/78/59/30/377785930.db2.gz IPCZKEMPQCZIBZ-CQSZACIVSA-N 0 3 260.385 2.887 10 30 CFEEHN C=C(C)CN(C)CCN(C)Cc1ccc(F)cc1 ZINC000161691175 378865546 /nfs/dbraw/zinc/86/55/46/378865546.db2.gz XCYQBVDDIOZHJA-UHFFFAOYSA-N 0 3 250.361 2.765 10 30 CFEEHN C=CC[C@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000189256604 382576415 /nfs/dbraw/zinc/57/64/15/382576415.db2.gz XDWZWNBWJKJNLX-SJORKVTESA-N 0 3 284.403 2.653 10 30 CFEEHN CN(CCCN[C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000249984660 383367819 /nfs/dbraw/zinc/36/78/19/383367819.db2.gz MGAAHXSJMPZEMH-GOEBONIOSA-N 0 3 257.381 2.795 10 30 CFEEHN C=C[C@@](C)(O)CN(Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000253388689 383454810 /nfs/dbraw/zinc/45/48/10/383454810.db2.gz ALXXMKDEYFKHDO-IAGOWNOFSA-N 0 3 293.382 2.744 10 30 CFEEHN C[C@@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000183130894 393516632 /nfs/dbraw/zinc/51/66/32/393516632.db2.gz OAUWRYGJCSVRMS-DOMZBBRYSA-N 0 3 263.768 2.849 10 30 CFEEHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cccs1 ZINC000192588142 393626675 /nfs/dbraw/zinc/62/66/75/393626675.db2.gz MNFWVFPYJDZUBR-STQMWFEESA-N 0 3 278.421 2.988 10 30 CFEEHN Cc1nc(NC[C@@H]2NCCc3ccccc32)ccc1C#N ZINC000261651535 393948845 /nfs/dbraw/zinc/94/88/45/393948845.db2.gz JUKURWHVTLORIJ-INIZCTEOSA-N 0 3 278.359 2.561 10 30 CFEEHN CN(C)CCN[C@H](C#N)c1cccc(Cl)c1Cl ZINC000020177288 171043106 /nfs/dbraw/zinc/04/31/06/171043106.db2.gz ZLGJVMUEDSGROF-LLVKDONJSA-N 0 3 272.179 2.709 10 30 CFEEHN ON=C1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000020248430 171102244 /nfs/dbraw/zinc/10/22/44/171102244.db2.gz VIFPEBFQBKNTJM-UHFFFAOYSA-N 0 3 255.321 2.661 10 30 CFEEHN C=CCSc1ccccc1NC(=O)CNC1CC1 ZINC000037495215 173234702 /nfs/dbraw/zinc/23/47/02/173234702.db2.gz HKWLWKKLADTIAR-UHFFFAOYSA-N 0 3 262.378 2.655 10 30 CFEEHN CC(C)NCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000040414386 174255715 /nfs/dbraw/zinc/25/57/15/174255715.db2.gz VICAPQPRLKGEKM-JTQLQIEISA-N 0 3 291.420 2.681 10 30 CFEEHN COc1cc(C#N)ccc1O[C@H](c1ccco1)[C@@H](C)N ZINC000043336662 175012519 /nfs/dbraw/zinc/01/25/19/175012519.db2.gz NDSILCOOVDKSSR-BMIGLBTASA-N 0 3 272.304 2.627 10 30 CFEEHN CCOc1cccc(CNC2CC2)c1O[C@H](C)C#N ZINC000043513528 175061609 /nfs/dbraw/zinc/06/16/09/175061609.db2.gz ADVQTOLZTHXMLR-LLVKDONJSA-N 0 3 260.337 2.628 10 30 CFEEHN C[C@H](C#N)Oc1ccc(Br)cc1CNC1CC1 ZINC000043513438 175061683 /nfs/dbraw/zinc/06/16/83/175061683.db2.gz WOEONHFTSKHLKR-SECBINFHSA-N 0 3 295.180 2.992 10 30 CFEEHN CC[C@H](C#N)Oc1c(Br)cccc1CNC ZINC000043539007 175064020 /nfs/dbraw/zinc/06/40/20/175064020.db2.gz DHDKIWZVFXIMOJ-SNVBAGLBSA-N 0 3 283.169 2.849 10 30 CFEEHN NCC#Cc1ccc(C(=O)NC2CCCCCC2)cc1F ZINC000043582823 175069963 /nfs/dbraw/zinc/06/99/63/175069963.db2.gz JYIPLXTXQLFVPX-UHFFFAOYSA-N 0 3 288.366 2.589 10 30 CFEEHN C[C@H]1CCCN(Cc2sccc2C#CCCO)C1 ZINC000043678903 175089808 /nfs/dbraw/zinc/08/98/08/175089808.db2.gz GKPMQAWSVKEDAX-ZDUSSCGKSA-N 0 3 263.406 2.714 10 30 CFEEHN COc1cc(C#N)ccc1OCc1ccc(C#CCN)s1 ZINC000043684678 175093143 /nfs/dbraw/zinc/09/31/43/175093143.db2.gz YAPHELDYIVXJNL-UHFFFAOYSA-N 0 3 298.367 2.518 10 30 CFEEHN COc1cc(C)ccc1OCc1ccc(C#CCN)s1 ZINC000043685114 175094127 /nfs/dbraw/zinc/09/41/27/175094127.db2.gz YPSLZHWNPXWTFL-UHFFFAOYSA-N 0 3 287.384 2.954 10 30 CFEEHN NCC#Cc1csc(CN2CCc3ccccc32)c1 ZINC000043688826 175095546 /nfs/dbraw/zinc/09/55/46/175095546.db2.gz CEJVRGXNKVIQIC-UHFFFAOYSA-N 0 3 268.385 2.621 10 30 CFEEHN CN(Cc1ccsc1)Cc1cc(C#CCN)cs1 ZINC000043688908 175096099 /nfs/dbraw/zinc/09/60/99/175096099.db2.gz GYCVJCYPFGHETE-UHFFFAOYSA-N 0 3 276.430 2.752 10 30 CFEEHN Cc1cccc(OCc2cc(C#CCN)cs2)c1 ZINC000043689256 175096199 /nfs/dbraw/zinc/09/61/99/175096199.db2.gz IZXBRSUOOLNKGP-UHFFFAOYSA-N 0 3 257.358 2.946 10 30 CFEEHN CC1CCN(C(=O)C(C#N)Cc2ccccc2)CC1 ZINC000044808601 175257477 /nfs/dbraw/zinc/25/74/77/175257477.db2.gz RCFVQSZEJUMRBX-HNNXBMFYSA-N 0 3 256.349 2.627 10 30 CFEEHN N#CC(Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000044808624 175257583 /nfs/dbraw/zinc/25/75/83/175257583.db2.gz SWYOWQJJTWTDQP-CQSZACIVSA-N 0 3 256.349 2.818 10 30 CFEEHN NCC#Cc1ccc(Cn2ccnc2-c2cccs2)cc1 ZINC000045048662 175297140 /nfs/dbraw/zinc/29/71/40/175297140.db2.gz OHRRTRLOMQMJGT-UHFFFAOYSA-N 0 3 293.395 2.970 10 30 CFEEHN CC1(NC(=O)c2ccc(C#CCN)s2)CCCCC1 ZINC000045047656 175297234 /nfs/dbraw/zinc/29/72/34/175297234.db2.gz MZBUCWKYEOTKCR-UHFFFAOYSA-N 0 3 276.405 2.511 10 30 CFEEHN CN(Cc1ccc(F)cc1C#CCO)CC(C)(C)C ZINC000045086829 175304557 /nfs/dbraw/zinc/30/45/57/175304557.db2.gz RCZZRCBCDIZAKI-UHFFFAOYSA-N 0 3 263.356 2.647 10 30 CFEEHN COc1cccc(OCc2ccccc2C#CCN)c1 ZINC000049610433 175492451 /nfs/dbraw/zinc/49/24/51/175492451.db2.gz DVNIVSMRYBSQDW-UHFFFAOYSA-N 0 3 267.328 2.584 10 30 CFEEHN Cc1cccc(OCCOc2ccc(C#CCN)cc2)c1 ZINC000049610493 175492479 /nfs/dbraw/zinc/49/24/79/175492479.db2.gz ARBBPNIIEXLMQF-UHFFFAOYSA-N 0 3 281.355 2.763 10 30 CFEEHN CCN1CCC[C@@H]1CN(C)c1ccc(C#N)cc1F ZINC000092631307 276170333 /nfs/dbraw/zinc/17/03/33/276170333.db2.gz XMBCPMQQIWUACM-CYBMUJFWSA-N 0 3 261.344 2.618 10 30 CFEEHN N=C(NCc1cnc(C2CC2)o1)Nc1cc(F)ccc1F ZINC000263083984 330042774 /nfs/dbraw/zinc/04/27/74/330042774.db2.gz ICFFONMIDAOZNB-UHFFFAOYSA-N 0 3 292.289 2.757 10 30 CFEEHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424076443 330220798 /nfs/dbraw/zinc/22/07/98/330220798.db2.gz LVCQVCTVHGLYSD-GWCFXTLKSA-N 0 3 279.771 2.538 10 30 CFEEHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424077383 330221027 /nfs/dbraw/zinc/22/10/27/330221027.db2.gz NXSSGSZVDFOYOQ-GXFFZTMASA-N 0 3 279.771 2.538 10 30 CFEEHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)s1 ZINC000424099940 330232954 /nfs/dbraw/zinc/23/29/54/330232954.db2.gz NFVVMMQFFHWGNJ-BDAKNGLRSA-N 0 3 285.800 2.600 10 30 CFEEHN C=C(C)COCCNCc1cnc2c(cnn2C(C)C)c1 ZINC000134500182 334092256 /nfs/dbraw/zinc/09/22/56/334092256.db2.gz SFHKDPSYFFDFEI-UHFFFAOYSA-N 0 3 288.395 2.695 10 30 CFEEHN N#C[C@H]1CCC[C@H]1NCCCOCc1ccccc1 ZINC000342781565 335186775 /nfs/dbraw/zinc/18/67/75/335186775.db2.gz MKKHCPDOLMWOMR-HZPDHXFCSA-N 0 3 258.365 2.875 10 30 CFEEHN CCCC1CCN(CC[C@](C)(C#N)NCC)CC1 ZINC000050905476 519901707 /nfs/dbraw/zinc/90/17/07/519901707.db2.gz BGEBTQJLSVKCKM-OAHLLOKOSA-N 0 3 251.418 2.780 10 30 CFEEHN CC(C)(C)NCc1nccn1Cc1ccc(C#N)cc1F ZINC000051015480 518768804 /nfs/dbraw/zinc/76/88/04/518768804.db2.gz OREUMWCKNUORRB-UHFFFAOYSA-N 0 3 286.354 2.830 10 30 CFEEHN CC(C)C[C@@H]1CSC(N[C@@H](CN(C)C)C(C)C)=N1 ZINC000049222043 519276063 /nfs/dbraw/zinc/27/60/63/519276063.db2.gz MMDXVSRXGOQOGX-OLZOCXBDSA-N 0 3 271.474 2.680 10 30 CFEEHN CC(C)CC[C@@H](C)NC(=O)c1cc(F)ccc1C#CCN ZINC000069235770 519681908 /nfs/dbraw/zinc/68/19/08/519681908.db2.gz ZLIPQEFZUYHLFG-CYBMUJFWSA-N 0 3 290.382 2.690 10 30 CFEEHN CC(C)CC[C@H](C)NC(=O)c1ccccc1C#CCN ZINC000069235769 519691500 /nfs/dbraw/zinc/69/15/00/519691500.db2.gz IAGCVEOBVQKSLF-AWEZNQCLSA-N 0 3 272.392 2.551 10 30 CFEEHN CC(C)C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000049558273 519776213 /nfs/dbraw/zinc/77/62/13/519776213.db2.gz MKYSXURLMXHXBX-ZDUSSCGKSA-N 0 3 290.367 2.855 10 30 CFEEHN C[C@@H](CN1CCCC1)N[C@H](CC#N)c1ccccc1 ZINC000055017977 524594390 /nfs/dbraw/zinc/59/43/90/524594390.db2.gz SHTGIPVEMRLSHK-GOEBONIOSA-N 0 3 257.381 2.715 10 30 CFEEHN Cc1nc(C[C@H]2CCCN(Cc3cccc(C#N)c3)C2)no1 ZINC000195517851 526924044 /nfs/dbraw/zinc/92/40/44/526924044.db2.gz ZDUSMDARODPLNT-MRXNPFEDSA-N 0 3 296.374 2.704 10 30 CFEEHN CC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000165692915 622995190 /nfs/dbraw/zinc/99/51/90/622995190.db2.gz MITVETZQAMWYQP-INIZCTEOSA-N 0 3 256.349 2.668 10 30 CFEEHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000119191276 637523407 /nfs/dbraw/zinc/52/34/07/637523407.db2.gz KNEOOLABZPIVQQ-HUUCEWRRSA-N 0 3 286.419 2.674 10 30 CFEEHN CNCCON=C(c1ccccc1)c1ccccc1 ZINC000115269286 347777916 /nfs/dbraw/zinc/77/79/16/347777916.db2.gz UMIKJZHWBMPRSD-UHFFFAOYSA-N 0 3 254.333 2.675 10 30 CFEEHN Cc1cc(C#N)ccc1CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000165495791 348040204 /nfs/dbraw/zinc/04/02/04/348040204.db2.gz UFPKNHCJDZHBAI-MAUKXSAKSA-N 0 3 283.419 2.925 10 30 CFEEHN CC(=O)N(C1CCC1)[C@@H]1CCCN(CCCC#N)CC1 ZINC000328654668 348441775 /nfs/dbraw/zinc/44/17/75/348441775.db2.gz XPIJCUXNCSUTTE-MRXNPFEDSA-N 0 3 277.412 2.546 10 30 CFEEHN C=CCN(CC=C)C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000584627840 348694740 /nfs/dbraw/zinc/69/47/40/348694740.db2.gz KDVYCWWJAYQUKI-KRWDZBQOSA-N 0 3 287.403 2.589 10 30 CFEEHN C[C@@H](N)c1nc2ccc(C#N)cc2n1-c1ccccc1 ZINC000091692149 180228421 /nfs/dbraw/zinc/22/84/21/180228421.db2.gz WWZLYSBJNRDGFZ-LLVKDONJSA-N 0 3 262.316 2.917 10 30 CFEEHN C=C[C@@](C)(O)CN(Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036115425 372560874 /nfs/dbraw/zinc/56/08/74/372560874.db2.gz ALXXMKDEYFKHDO-DLBZAZTESA-N 0 3 293.382 2.744 10 30 CFEEHN C[C@@H]1C[C@@](O)(C#CSc2ccccc2)[C@@H](C)CN1C ZINC000256006435 190000939 /nfs/dbraw/zinc/00/09/39/190000939.db2.gz VGLYEXWKUDZFMV-LZWOXQAQSA-N 0 3 275.417 2.831 10 30 CFEEHN C[C@@H]1C[C@](O)(C#CSCc2ccccc2)[C@@H](C)CN1C ZINC000256009035 190001624 /nfs/dbraw/zinc/00/16/24/190001624.db2.gz WLHLVECYSXWTCK-ZMSDIMECSA-N 0 3 289.444 2.972 10 30 CFEEHN C=C[C@H](CC(=O)N[C@@H]1CCCN(CC)C1)c1ccccc1 ZINC000130607352 377582133 /nfs/dbraw/zinc/58/21/33/377582133.db2.gz ATMFIKIUVSJASU-NVXWUHKLSA-N 0 3 286.419 2.947 10 30 CFEEHN C#Cc1cccc(NC(=O)N(C)C[C@@H]2CCCN2CC)c1 ZINC000176285448 380208756 /nfs/dbraw/zinc/20/87/56/380208756.db2.gz BWGHEKCOQSQZQQ-INIZCTEOSA-N 0 3 285.391 2.616 10 30 CFEEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@H]1CCC[C@H]1C#N ZINC000350458580 382012550 /nfs/dbraw/zinc/01/25/50/382012550.db2.gz JZNDBQIAOGUQDD-UBDQQSCGSA-N 0 3 283.419 2.789 10 30 CFEEHN Cc1nc([C@@H](C)NCCCSCC#N)cs1 ZINC000309412170 382489179 /nfs/dbraw/zinc/48/91/79/382489179.db2.gz ISNFKKVLBKZRMX-SECBINFHSA-N 0 3 255.412 2.749 10 30 CFEEHN Clc1ccc(C#CCN2CCN3CCCC[C@H]3C2)cc1 ZINC000246457188 383076948 /nfs/dbraw/zinc/07/69/48/383076948.db2.gz VRIVDNYXRKIDFH-KRWDZBQOSA-N 0 3 288.822 2.862 10 30 CFEEHN Clc1cccc(C#CCN2CCN3CCCC[C@H]3C2)c1 ZINC000247004956 383130551 /nfs/dbraw/zinc/13/05/51/383130551.db2.gz XBGJGYQRAXBLTB-KRWDZBQOSA-N 0 3 288.822 2.862 10 30 CFEEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ccc(C#N)cc1F ZINC000252661994 383424813 /nfs/dbraw/zinc/42/48/13/383424813.db2.gz SODRMZKPCMAXTP-BBRMVZONSA-N 0 3 287.382 2.756 10 30 CFEEHN C[C@@H]1CC(CNCc2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000282342335 385287839 /nfs/dbraw/zinc/28/78/39/385287839.db2.gz VECPDPHVNCIICA-VXGBXAGGSA-N 0 3 276.355 2.991 10 30 CFEEHN C[C@H](NCCC(=O)N(C)CCC#N)c1cccc(Cl)c1 ZINC000181420569 393495277 /nfs/dbraw/zinc/49/52/77/393495277.db2.gz HDJXQHUPVPYIKM-LBPRGKRZSA-N 0 3 293.798 2.753 10 30 CFEEHN C=CCC[C@@H](O)CN(CCOC)Cc1ccsc1 ZINC000036099267 393522225 /nfs/dbraw/zinc/52/22/25/393522225.db2.gz WTIYFURMCDSJCV-CQSZACIVSA-N 0 3 269.410 2.524 10 30 CFEEHN C/C(=N\[O-])c1ccc2c(c1)C[C@@H]([NH+]1CCCCC1)C2 ZINC000223857844 393766592 /nfs/dbraw/zinc/76/65/92/393766592.db2.gz LZPLVICOBAUCSV-WLSWZUKCSA-N 0 3 258.365 2.838 10 30 CFEEHN CC[C@@H]1CN2CCC[C@@H]2CN1c1ncc(C#N)cc1Cl ZINC000174924152 394380160 /nfs/dbraw/zinc/38/01/60/394380160.db2.gz SDTIUKITAICPIA-CHWSQXEVSA-N 0 3 290.798 2.670 10 30 CFEEHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037393476 173173576 /nfs/dbraw/zinc/17/35/76/173173576.db2.gz YICIAHNTPIZWQM-PELKAZGASA-N 0 3 265.744 2.524 10 30 CFEEHN C=C(C)C(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000038652316 174150666 /nfs/dbraw/zinc/15/06/66/174150666.db2.gz AMTKJHWIWZRTEY-HNNXBMFYSA-N 0 3 259.349 2.770 10 30 CFEEHN Cc1sc(NC(=O)CNC2CCCC2)c(C#N)c1C ZINC000040415556 174255676 /nfs/dbraw/zinc/25/56/76/174255676.db2.gz ZTNJAJFKWXDJIL-UHFFFAOYSA-N 0 3 277.393 2.707 10 30 CFEEHN N#Cc1c2c(sc1NC(=O)C1(N)CCCCC1)CCC2 ZINC000040853167 174421506 /nfs/dbraw/zinc/42/15/06/174421506.db2.gz WPDCRPUBMZCZNE-UHFFFAOYSA-N 0 3 289.404 2.709 10 30 CFEEHN Cc1c(F)cccc1NC(=O)c1cccc(C#CCN)c1 ZINC000043322876 175006587 /nfs/dbraw/zinc/00/65/87/175006587.db2.gz IHIIRVHZLDGXCR-UHFFFAOYSA-N 0 3 282.318 2.697 10 30 CFEEHN C[C@@H](N)[C@H](Oc1cccc(F)c1C#N)c1ccco1 ZINC000043337814 175012787 /nfs/dbraw/zinc/01/27/87/175012787.db2.gz UTFZPYKIGDPUCY-OTYXRUKQSA-N 0 3 260.268 2.758 10 30 CFEEHN Cc1ccc(C#N)c(NC[C@@H](C)N2CCCCC2)n1 ZINC000043395580 175035483 /nfs/dbraw/zinc/03/54/83/175035483.db2.gz IPAXRYNBAHIJER-CYBMUJFWSA-N 0 3 258.369 2.548 10 30 CFEEHN CCNCc1cccc(Br)c1O[C@@H](C)C#N ZINC000043513832 175061401 /nfs/dbraw/zinc/06/14/01/175061401.db2.gz ZTUCUNYKBWKJQA-VIFPVBQESA-N 0 3 283.169 2.849 10 30 CFEEHN CCCOc1ccc(CNCC)c(O[C@@H](C)C#N)c1 ZINC000043513647 175061733 /nfs/dbraw/zinc/06/17/33/175061733.db2.gz MGVRGTSIEXAIIM-LBPRGKRZSA-N 0 3 262.353 2.876 10 30 CFEEHN CC[C@@H](C#N)Oc1ccc(Br)cc1CNC ZINC000043538714 175063801 /nfs/dbraw/zinc/06/38/01/175063801.db2.gz LASJOPMYVOSPSL-NSHDSACASA-N 0 3 283.169 2.849 10 30 CFEEHN CC[C@@H](C#N)Oc1cc(OC)ccc1CNC1CC1 ZINC000043539002 175063809 /nfs/dbraw/zinc/06/38/09/175063809.db2.gz YVROMTNDFKWXAG-ZDUSSCGKSA-N 0 3 260.337 2.628 10 30 CFEEHN CN(C(=O)c1ccc(C#CCN)c(F)c1)C1CCCCC1 ZINC000043582577 175069920 /nfs/dbraw/zinc/06/99/20/175069920.db2.gz XGAIEOFGSKMIPJ-UHFFFAOYSA-N 0 3 288.366 2.541 10 30 CFEEHN CC(C)CCN(C)Cc1ccc(C#CCO)s1 ZINC000043678566 175088859 /nfs/dbraw/zinc/08/88/59/175088859.db2.gz UNZRTVGQCYQYBF-UHFFFAOYSA-N 0 3 251.395 2.570 10 30 CFEEHN OCCC#Cc1ccc(CN2CCCCCC2)s1 ZINC000043678912 175089722 /nfs/dbraw/zinc/08/97/22/175089722.db2.gz XIJMQLCOUKQHSL-UHFFFAOYSA-N 0 3 263.406 2.858 10 30 CFEEHN C[C@@H]1CCCCN1Cc1ccc(C#CCCO)s1 ZINC000043678831 175089731 /nfs/dbraw/zinc/08/97/31/175089731.db2.gz YIGSPPKMKOCZHK-CYBMUJFWSA-N 0 3 263.406 2.856 10 30 CFEEHN CC[C@@H]1CCCCN1Cc1ccc(C#CCO)s1 ZINC000043679423 175090560 /nfs/dbraw/zinc/09/05/60/175090560.db2.gz OMHPFXHXQINFQB-CYBMUJFWSA-N 0 3 263.406 2.856 10 30 CFEEHN NCC#Cc1ccsc1Cn1ccnc1-c1ccccc1 ZINC000043684421 175092574 /nfs/dbraw/zinc/09/25/74/175092574.db2.gz YMWPCXMYBCNHHY-UHFFFAOYSA-N 0 3 293.395 2.970 10 30 CFEEHN NCC#Cc1ccsc1COc1ccc(F)c(F)c1 ZINC000043685286 175093636 /nfs/dbraw/zinc/09/36/36/175093636.db2.gz DDZRTTKRYJTGSP-UHFFFAOYSA-N 0 3 279.311 2.916 10 30 CFEEHN COc1ccc(OCc2sccc2C#CCN)cc1 ZINC000043684883 175094059 /nfs/dbraw/zinc/09/40/59/175094059.db2.gz AMCRXXVEUDEOJB-UHFFFAOYSA-N 0 3 273.357 2.646 10 30 CFEEHN Cc1ccccc1OCc1sccc1C#CCN ZINC000043684822 175094078 /nfs/dbraw/zinc/09/40/78/175094078.db2.gz BBVFUGNVAHRFPI-UHFFFAOYSA-N 0 3 257.358 2.946 10 30 CFEEHN Cc1ccc(C#N)c(N[C@H](CC(C)C)CN(C)C)n1 ZINC000044419633 175173795 /nfs/dbraw/zinc/17/37/95/175173795.db2.gz SEUHPPDOAXZRKK-CQSZACIVSA-N 0 3 260.385 2.650 10 30 CFEEHN CN(Cc1cc(C#CCCO)cs1)CC(C)(C)C ZINC000045086783 175303962 /nfs/dbraw/zinc/30/39/62/175303962.db2.gz COLNAMCTDNLTCA-UHFFFAOYSA-N 0 3 265.422 2.960 10 30 CFEEHN CN(Cc1ccc(C#CCO)s1)CC(C)(C)C ZINC000045086805 175304096 /nfs/dbraw/zinc/30/40/96/175304096.db2.gz NCKGMQJEUNMPBN-UHFFFAOYSA-N 0 3 251.395 2.570 10 30 CFEEHN C#CCOc1c(CNCCC(C)C)cccc1OC ZINC000045945990 175387695 /nfs/dbraw/zinc/38/76/95/175387695.db2.gz LHCIGOSRKQKHPK-UHFFFAOYSA-N 0 3 261.365 2.843 10 30 CFEEHN OCC#Cc1cc(CN2CCCCCC2)ccc1F ZINC000049616150 175494170 /nfs/dbraw/zinc/49/41/70/175494170.db2.gz KVIJJQKZZBKMMJ-UHFFFAOYSA-N 0 3 261.340 2.546 10 30 CFEEHN C=CCOc1ccccc1CN[C@@H]1CCCC[C@@H]1O ZINC000051998388 175530148 /nfs/dbraw/zinc/53/01/48/175530148.db2.gz WUWAAIKDCOLWEF-CABCVRRESA-N 0 3 261.365 2.645 10 30 CFEEHN CC[C@@H](C)N1C(=O)c2c(cccc2N(C)C)C1C#N ZINC000071679256 176244003 /nfs/dbraw/zinc/24/40/03/176244003.db2.gz APLIGDXBGGWXRL-MFKMUULPSA-N 0 3 257.337 2.572 10 30 CFEEHN N#C[C@@H]1CCC[C@@H]1NC(=O)C1CCN(C2CC2)CC1 ZINC000328737457 263850815 /nfs/dbraw/zinc/85/08/15/263850815.db2.gz GZIQTUZZKSFJSQ-JSGCOSHPSA-N 0 3 261.369 2.510 10 30 CFEEHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccccc1C ZINC000126586025 264214552 /nfs/dbraw/zinc/21/45/52/264214552.db2.gz LSZAAEFEZYQPAC-HNNXBMFYSA-N 0 3 272.392 2.846 10 30 CFEEHN N#Cc1ccc(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c(Cl)c1 ZINC000399046775 270325474 /nfs/dbraw/zinc/32/54/74/270325474.db2.gz JPIPTUYBECYEFZ-CFVMTHIKSA-N 0 3 290.794 2.804 10 30 CFEEHN Cc1nc(N[C@@H](C)CN(C)Cc2ccccc2)ccc1C#N ZINC000336706486 280181463 /nfs/dbraw/zinc/18/14/63/280181463.db2.gz ITQFUDPCPMHLGJ-AWEZNQCLSA-N 0 3 294.402 2.616 10 30 CFEEHN CC[C@H]1CN2CCC[C@H]2CN1c1ncc(C#N)cc1Cl ZINC000246502006 288317855 /nfs/dbraw/zinc/31/78/55/288317855.db2.gz SDTIUKITAICPIA-STQMWFEESA-N 0 3 290.798 2.670 10 30 CFEEHN C=C(C)CN(C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000181296251 329230286 /nfs/dbraw/zinc/23/02/86/329230286.db2.gz QQLJEKALDPMJJN-HNNXBMFYSA-N 0 3 283.799 2.725 10 30 CFEEHN C=CCC1(C(=O)N(C)C[C@H]2CCCN2CC)CCC1 ZINC000188704960 329370344 /nfs/dbraw/zinc/37/03/44/329370344.db2.gz ZIZCHOKIWQFRCI-CQSZACIVSA-N 0 3 264.413 2.676 10 30 CFEEHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424076444 330220806 /nfs/dbraw/zinc/22/08/06/330220806.db2.gz LVCQVCTVHGLYSD-GXFFZTMASA-N 0 3 279.771 2.538 10 30 CFEEHN N#C[C@H]1CCC[C@@H]1NC1CCN(c2ccccc2)CC1 ZINC000224376698 333219934 /nfs/dbraw/zinc/21/99/34/333219934.db2.gz PSHRWJBSWHPMAW-PBHICJAKSA-N 0 3 269.392 2.937 10 30 CFEEHN C[C@H](NCCOCCC#N)c1ccc(Cl)s1 ZINC000339086502 335141434 /nfs/dbraw/zinc/14/14/34/335141434.db2.gz MCCGHPGWSBMINL-VIFPVBQESA-N 0 3 258.774 2.982 10 30 CFEEHN COc1ccccc1C[C@H](C)N[C@@H]1CCC[C@H]1C#N ZINC000250990595 334354288 /nfs/dbraw/zinc/35/42/88/334354288.db2.gz LUSQMQDNJKFSIP-AEGPPILISA-N 0 3 258.365 2.908 10 30 CFEEHN CC(C)C[C@@H](CN(C)C)NCc1cc(C#N)ccc1F ZINC000049555978 519776001 /nfs/dbraw/zinc/77/60/01/519776001.db2.gz XHZWIEXQMOFNHK-HNNXBMFYSA-N 0 3 277.387 2.763 10 30 CFEEHN CC(C)(C)NCc1nccn1Cc1ccc(C#N)cc1 ZINC000051015310 518767777 /nfs/dbraw/zinc/76/77/77/518767777.db2.gz FXDROWFJLZVTSM-UHFFFAOYSA-N 0 3 268.364 2.691 10 30 CFEEHN CCCC1CCN(CC[C@H](C#N)NC(C)C)CC1 ZINC000062438762 519901598 /nfs/dbraw/zinc/90/15/98/519901598.db2.gz NHTAQZAROZKBDA-OAHLLOKOSA-N 0 3 251.418 2.779 10 30 CFEEHN CN(C)CCN[C@H](C#N)c1csc2ccccc12 ZINC000054464808 521793335 /nfs/dbraw/zinc/79/33/35/521793335.db2.gz QUVAKXRPBQSRRG-CYBMUJFWSA-N 0 3 259.378 2.617 10 30 CFEEHN C[C@@H]1CCC[C@@](CO)(N[C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054829955 524340909 /nfs/dbraw/zinc/34/09/09/524340909.db2.gz OKQAHGGCWBJHEZ-KBUPBQIOSA-N 0 3 250.386 2.600 10 30 CFEEHN C[C@@H](CN1CCCC1)N[C@@H](CC#N)c1ccccc1 ZINC000055017972 524594551 /nfs/dbraw/zinc/59/45/51/524594551.db2.gz SHTGIPVEMRLSHK-HOCLYGCPSA-N 0 3 257.381 2.715 10 30 CFEEHN CSC[C@@H](C)CNCc1cc(C#N)ccc1F ZINC000069447428 525624433 /nfs/dbraw/zinc/62/44/33/525624433.db2.gz NCVHSECUGJOZNL-JTQLQIEISA-N 0 3 252.358 2.786 10 30 CFEEHN N#Cc1ccc(CN2CCC[C@@H]2CCCO)c(Cl)c1 ZINC000162898839 526610763 /nfs/dbraw/zinc/61/07/63/526610763.db2.gz ODEROPGQWSCAAP-CQSZACIVSA-N 0 3 278.783 2.949 10 30 CFEEHN C#CCCOc1ccc(CN[C@@H](C)[C@H]2CCCO2)cc1 ZINC000113321179 526744893 /nfs/dbraw/zinc/74/48/93/526744893.db2.gz CCBWIQWVOYDOLY-WMLDXEAASA-N 0 3 273.376 2.746 10 30 CFEEHN O=CC1(CN(Cc2cccs2)C2CC2)CCOCC1 ZINC000052180353 527139611 /nfs/dbraw/zinc/13/96/11/527139611.db2.gz YMUKYVKDKAAQHY-UHFFFAOYSA-N 0 3 279.405 2.708 10 30 CFEEHN NCC#Cc1ccsc1COCc1ccccc1F ZINC000069285280 527154680 /nfs/dbraw/zinc/15/46/80/527154680.db2.gz LHQBNYSGSQBYBC-UHFFFAOYSA-N 0 3 275.348 2.914 10 30 CFEEHN CC(C)(C)OC(=O)N1CCC(N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000061891990 619160097 /nfs/dbraw/zinc/16/00/97/619160097.db2.gz WLXIAOVHEKVFNB-TZMCWYRMSA-N 0 3 293.411 2.668 10 30 CFEEHN C#CCCNCc1cc(Br)ccc1OC ZINC000069768344 625218387 /nfs/dbraw/zinc/21/83/87/625218387.db2.gz YOOJGSLOLLERBU-UHFFFAOYSA-N 0 3 268.154 2.571 10 30 CFEEHN N#C[C@H]1CCCC[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000054826205 346577346 /nfs/dbraw/zinc/57/73/46/346577346.db2.gz GOHFARVKQYHXJX-UKRRQHHQSA-N 0 3 273.336 2.809 10 30 CFEEHN CN(CCCN[C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000054823352 346577375 /nfs/dbraw/zinc/57/73/75/346577375.db2.gz MGAAHXSJMPZEMH-ZBFHGGJFSA-N 0 3 257.381 2.795 10 30 CFEEHN C#CC[C@H](NC)c1ccc(Br)cc1F ZINC000166113553 348041627 /nfs/dbraw/zinc/04/16/27/348041627.db2.gz CEXURPZPANQOFX-NSHDSACASA-N 0 3 256.118 2.872 10 30 CFEEHN C=CCC[C@@H](N)c1ccc(OC)c(OC)c1OC ZINC000167799480 348046351 /nfs/dbraw/zinc/04/63/51/348046351.db2.gz NITYYUUVEOMRSW-LLVKDONJSA-N 0 3 251.326 2.678 10 30 CFEEHN CC(C)N1CCC[C@](C#N)(NCc2ccccc2)CC1 ZINC000086849211 179357941 /nfs/dbraw/zinc/35/79/41/179357941.db2.gz PICKQNQRBSUVKG-KRWDZBQOSA-N 0 3 271.408 2.933 10 30 CFEEHN C=CC[C@@H](N)c1sccc1I ZINC000238649294 348248073 /nfs/dbraw/zinc/24/80/73/348248073.db2.gz AWJSRLZUQSGKDL-SSDOTTSWSA-N 0 3 279.146 2.929 10 30 CFEEHN C=CCCC[C@@H](C)NC(=O)N(C)C[C@H]1CCCN1CC ZINC000246012222 348260329 /nfs/dbraw/zinc/26/03/29/348260329.db2.gz YPOBUDUCWLUXMV-HUUCEWRRSA-N 0 3 281.444 2.857 10 30 CFEEHN N#Cc1ccc(CN2CCC(Cn3cccn3)CC2)cc1 ZINC000105886242 186083786 /nfs/dbraw/zinc/08/37/86/186083786.db2.gz UQIYPIIJYOYKPV-UHFFFAOYSA-N 0 3 280.375 2.667 10 30 CFEEHN N#Cc1ccc([C@@H]2CN(Cc3ccccc3)CCN2)cc1 ZINC000616631895 352392783 /nfs/dbraw/zinc/39/27/83/352392783.db2.gz HXHNDDFEAVEKEL-SFHVURJKSA-N 0 3 277.371 2.705 10 30 CFEEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccccc1C#N ZINC000178283867 189103069 /nfs/dbraw/zinc/10/30/69/189103069.db2.gz MUKRTZSJPUSIMA-KRWDZBQOSA-N 0 3 280.375 2.728 10 30 CFEEHN Cc1nccn1C[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC000180130497 189238923 /nfs/dbraw/zinc/23/89/23/189238923.db2.gz ANMXEPYOYJONME-CYBMUJFWSA-N 0 3 286.404 2.789 10 30 CFEEHN C[C@H](C#N)Oc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000092616065 375131243 /nfs/dbraw/zinc/13/12/43/375131243.db2.gz RFFNVQVXDZRZOF-NVXWUHKLSA-N 0 3 299.418 2.648 10 30 CFEEHN CCCC(=O)N[C@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000092708753 375142427 /nfs/dbraw/zinc/14/24/27/375142427.db2.gz QAYJRBDOCDVVQH-AWEZNQCLSA-N 0 3 279.428 2.697 10 30 CFEEHN CC(C)(C#N)CCCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152260166 378405083 /nfs/dbraw/zinc/40/50/83/378405083.db2.gz ZQWRZNMBIBPZGH-OAHLLOKOSA-N 0 3 273.380 2.865 10 30 CFEEHN N#Cc1ccc(CN2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152495458 378421975 /nfs/dbraw/zinc/42/19/75/378421975.db2.gz HBWDEYHQMVLGFK-QGZVFWFLSA-N 0 3 279.343 2.607 10 30 CFEEHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000180898793 380710427 /nfs/dbraw/zinc/71/04/27/380710427.db2.gz GOGXXQXEIQQAEL-UONOGXRCSA-N 0 3 267.417 2.515 10 30 CFEEHN C=CCC(CC=C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246072803 383060925 /nfs/dbraw/zinc/06/09/25/383060925.db2.gz DORNJJWDSQKSMT-UKRRQHHQSA-N 0 3 264.413 2.600 10 30 CFEEHN C[C@@H](c1ccc(C#N)cc1)N1CCN2CCCC[C@H]2C1 ZINC000248356515 383227057 /nfs/dbraw/zinc/22/70/57/383227057.db2.gz OKPGMVBJMANTSJ-YOEHRIQHSA-N 0 3 269.392 2.789 10 30 CFEEHN C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(Cl)s1 ZINC000183007944 393515801 /nfs/dbraw/zinc/51/58/01/393515801.db2.gz SLQKODVAJCGYHJ-SNVBAGLBSA-N 0 3 299.827 2.814 10 30 CFEEHN CCO[C@@H]1C[C@H](N(C)CCCC#N)C12CCCC2 ZINC000121163756 393950088 /nfs/dbraw/zinc/95/00/88/393950088.db2.gz SZJGZEOXFYKKQN-UONOGXRCSA-N 0 3 250.386 2.960 10 30 CFEEHN ON=C1CCN(Cc2cccc3cccnc32)CC1 ZINC000020247086 171100479 /nfs/dbraw/zinc/10/04/79/171100479.db2.gz RXDQITRZJTYXCO-UHFFFAOYSA-N 0 3 255.321 2.661 10 30 CFEEHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(CC)n1C ZINC000661118371 413770596 /nfs/dbraw/zinc/77/05/96/413770596.db2.gz ZQDCAXJSVHIZAC-CHWSQXEVSA-N 0 3 262.401 2.602 10 30 CFEEHN C#CCN1CCC(Nc2cccc(SC)c2)CC1 ZINC000037188365 173018449 /nfs/dbraw/zinc/01/84/49/173018449.db2.gz MKONIIGIYWGLJF-UHFFFAOYSA-N 0 3 260.406 2.918 10 30 CFEEHN Cc1cc(C)c(C#N)c(NC[C@H](C)N2CCCCC2)n1 ZINC000038029257 174019240 /nfs/dbraw/zinc/01/92/40/174019240.db2.gz AOWGTPPSIUYTJE-AWEZNQCLSA-N 0 3 272.396 2.856 10 30 CFEEHN NCC#Cc1c(OCC(F)F)ccc2ccccc21 ZINC000038077871 174088140 /nfs/dbraw/zinc/08/81/40/174088140.db2.gz CZJZNLJMCGYGRD-UHFFFAOYSA-N 0 3 261.271 2.794 10 30 CFEEHN CC(C)CN(C(=O)c1ccc(C#CCN)cc1F)C(C)C ZINC000042598117 174815255 /nfs/dbraw/zinc/81/52/55/174815255.db2.gz HUBPVQASASICKL-UHFFFAOYSA-N 0 3 290.382 2.643 10 30 CFEEHN NCC#Cc1cc(F)ccc1OCCOc1ccccc1 ZINC000043458506 175050379 /nfs/dbraw/zinc/05/03/79/175050379.db2.gz IQESOGVYZNPYPX-UHFFFAOYSA-N 0 3 285.318 2.594 10 30 CFEEHN Cc1ccc(OCCOc2ccccc2)c(C#CCN)c1 ZINC000043458505 175050745 /nfs/dbraw/zinc/05/07/45/175050745.db2.gz AWPQYYXJGBOQMM-UHFFFAOYSA-N 0 3 281.355 2.763 10 30 CFEEHN CCc1ccc(C(=O)NCc2cccc(C#CCN)c2)s1 ZINC000043640343 175084554 /nfs/dbraw/zinc/08/45/54/175084554.db2.gz MIONYHZFADIZNZ-UHFFFAOYSA-N 0 3 298.411 2.551 10 30 CFEEHN CCC1CCN(Cc2ccc(C#CCO)s2)CC1 ZINC000043678592 175089988 /nfs/dbraw/zinc/08/99/88/175089988.db2.gz MQYLLEUULAQDGF-UHFFFAOYSA-N 0 3 263.406 2.714 10 30 CFEEHN CCCN(CC)Cc1ccc(C#CCCO)s1 ZINC000043679384 175090479 /nfs/dbraw/zinc/09/04/79/175090479.db2.gz ZSZJVCDLZCCBHS-UHFFFAOYSA-N 0 3 251.395 2.714 10 30 CFEEHN CC[C@H](C)N(CCOC)Cc1sccc1C#CCCO ZINC000043681987 175091113 /nfs/dbraw/zinc/09/11/13/175091113.db2.gz OLZDBHSKQVQBMB-AWEZNQCLSA-N 0 3 295.448 2.729 10 30 CFEEHN NCC#Cc1ccsc1COc1cccc([N+](=O)[O-])c1 ZINC000043685371 175094216 /nfs/dbraw/zinc/09/42/16/175094216.db2.gz XQXSLNXMYYJPAU-UHFFFAOYSA-N 0 3 288.328 2.546 10 30 CFEEHN Cc1ccc(CN(C)Cc2cc(C#CCN)cs2)o1 ZINC000043688909 175095778 /nfs/dbraw/zinc/09/57/78/175095778.db2.gz ULTGQTUOXPDGRJ-UHFFFAOYSA-N 0 3 274.389 2.592 10 30 CFEEHN CCCCCN(C)Cc1cc(C#CCO)cs1 ZINC000043698580 175096605 /nfs/dbraw/zinc/09/66/05/175096605.db2.gz XWUCCSRNFKTWBP-UHFFFAOYSA-N 0 3 251.395 2.714 10 30 CFEEHN CC(C)C[C@@H](CN(C)C)Nc1nc2c(cc1C#N)CCC2 ZINC000044419864 175173678 /nfs/dbraw/zinc/17/36/78/175173678.db2.gz IMTIHHYLDULEGJ-HNNXBMFYSA-N 0 3 286.423 2.830 10 30 CFEEHN C#CCNCc1ccc(OCC)c(Br)c1 ZINC000045945333 175387900 /nfs/dbraw/zinc/38/79/00/175387900.db2.gz LYDJSIGCRSAARU-UHFFFAOYSA-N 0 3 268.154 2.571 10 30 CFEEHN C#CCNCc1ccc(OCCC)c(Br)c1 ZINC000045945341 175388028 /nfs/dbraw/zinc/38/80/28/175388028.db2.gz SAJKFBKELHAYEK-UHFFFAOYSA-N 0 3 282.181 2.961 10 30 CFEEHN C[C@H]1Cc2ccccc2N1Cc1ccccc1C#CCN ZINC000049608553 175491721 /nfs/dbraw/zinc/49/17/21/175491721.db2.gz IAFNCBIMLCSOMV-HNNXBMFYSA-N 0 3 276.383 2.948 10 30 CFEEHN N#Cc1c(F)cccc1OCc1ccccc1C#CCN ZINC000049611082 175493221 /nfs/dbraw/zinc/49/32/21/175493221.db2.gz MDZYASWRWBHFDV-UHFFFAOYSA-N 0 3 280.302 2.587 10 30 CFEEHN C=C(Cl)COc1cc(CNCCOC)ccc1OC ZINC000062732619 175673829 /nfs/dbraw/zinc/67/38/29/175673829.db2.gz NFNCNTOWNOVEPZ-UHFFFAOYSA-N 0 3 285.771 2.563 10 30 CFEEHN CC[C@H](C)N1C(=O)c2ccc(N(C)C)cc2C1C#N ZINC000071679087 176243827 /nfs/dbraw/zinc/24/38/27/176243827.db2.gz ICBYCYVRJOGXCU-IINYFYTJSA-N 0 3 257.337 2.572 10 30 CFEEHN Cn1cc([C@@H]2CCCN2CCCC(C)(C)C#N)cn1 ZINC000174846002 261199328 /nfs/dbraw/zinc/19/93/28/261199328.db2.gz QODFNAYZGBGBRO-AWEZNQCLSA-N 0 3 260.385 2.887 10 30 CFEEHN C=C[C@@H](CC(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000179342510 329207187 /nfs/dbraw/zinc/20/71/87/329207187.db2.gz XZEFPAYWVUVMNR-DOTOQJQBSA-N 0 3 284.403 2.653 10 30 CFEEHN C=CCCCCCN1CCN(CCOCC)[C@H](C)C1 ZINC000248821038 334318075 /nfs/dbraw/zinc/31/80/75/334318075.db2.gz XCEZSEURFZQIQP-MRXNPFEDSA-N 0 3 268.445 2.775 10 30 CFEEHN CC(C)CC[C@@H](C)NC(=O)c1cc(C#CCN)ccc1F ZINC000069235782 519681796 /nfs/dbraw/zinc/68/17/96/519681796.db2.gz AXYYGSGHZLMVLI-CYBMUJFWSA-N 0 3 290.382 2.690 10 30 CFEEHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000120565615 617730038 /nfs/dbraw/zinc/73/00/38/617730038.db2.gz RCIPHCAAAAXLRA-KBPBESRZSA-N 0 3 286.419 2.773 10 30 CFEEHN C=C(C)CN(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757134252 617772545 /nfs/dbraw/zinc/77/25/45/617772545.db2.gz NDNURMNJIVWKBB-UHFFFAOYSA-N 0 3 277.368 2.858 10 30 CFEEHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176080141 617773848 /nfs/dbraw/zinc/77/38/48/617773848.db2.gz FIKXTFQBFVPVOO-JHJVBQTASA-N 0 3 279.343 2.796 10 30 CFEEHN C#CCOc1ccc(CN2CCS[C@@H](C)C2)cc1 ZINC000131380043 645716117 /nfs/dbraw/zinc/71/61/17/645716117.db2.gz YUTUBLPQTIAWAQ-ZDUSSCGKSA-N 0 3 261.390 2.636 10 30 CFEEHN C=CCN1CCC(c2ccc(C(=O)OC)cc2)CC1 ZINC000113031768 347765697 /nfs/dbraw/zinc/76/56/97/347765697.db2.gz KNMGUCMYBOEMCL-UHFFFAOYSA-N 0 3 259.349 2.839 10 30 CFEEHN C=C(Br)COc1ccc(CNC(C)C)nc1 ZINC000086791257 179336453 /nfs/dbraw/zinc/33/64/53/179336453.db2.gz NURIBJWOTPAXRD-UHFFFAOYSA-N 0 3 285.185 2.867 10 30 CFEEHN C=C(C)C[C@H](N)c1ccc(OC)c(OC)c1OC ZINC000229738980 348202848 /nfs/dbraw/zinc/20/28/48/348202848.db2.gz NFBSXOOREZRMMF-NSHDSACASA-N 0 3 251.326 2.678 10 30 CFEEHN C=C(C)C[C@H](N)c1cc(OC)c(OC)cc1OC ZINC000229735025 348203047 /nfs/dbraw/zinc/20/30/47/348203047.db2.gz IHLLZZMVVXRZBO-NSHDSACASA-N 0 3 251.326 2.678 10 30 CFEEHN C=CC[C@H](N)c1sccc1I ZINC000238663696 348248139 /nfs/dbraw/zinc/24/81/39/348248139.db2.gz AWJSRLZUQSGKDL-ZETCQYMHSA-N 0 3 279.146 2.929 10 30 CFEEHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594428335 349418815 /nfs/dbraw/zinc/41/88/15/349418815.db2.gz YECPYVPNKXSZDZ-SMDDNHRTSA-N 0 3 293.798 2.928 10 30 CFEEHN CC[C@H]1CN2CCC[C@H]2CN1c1snc(Cl)c1C#N ZINC000271323568 191073115 /nfs/dbraw/zinc/07/31/15/191073115.db2.gz KNPSKYQGIYVELA-UWVGGRQHSA-N 0 3 296.827 2.731 10 30 CFEEHN Cc1ccc(CN2CCC[C@@H]2CCCO)cc1C#N ZINC000599282152 350406313 /nfs/dbraw/zinc/40/63/13/350406313.db2.gz OFACADVLPQPEQS-MRXNPFEDSA-N 0 3 258.365 2.604 10 30 CFEEHN CCCCCCCCNC(=O)[C@H](N)CCSC ZINC000106273353 186105946 /nfs/dbraw/zinc/10/59/46/186105946.db2.gz DOUMLKRVZCUTJA-GFCCVEGCSA-N 0 3 260.447 2.544 10 30 CFEEHN C#CCCCCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000179661505 189210753 /nfs/dbraw/zinc/21/07/53/189210753.db2.gz SNXFRZRXLICTJD-INIZCTEOSA-N 0 3 272.392 2.599 10 30 CFEEHN C=CCC[C@@H](O)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181552558 189300324 /nfs/dbraw/zinc/30/03/24/189300324.db2.gz CWZDIZZKARXJIW-CABCVRRESA-N 0 3 278.352 2.963 10 30 CFEEHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cccs1 ZINC000182225130 189317429 /nfs/dbraw/zinc/31/74/29/189317429.db2.gz VPYCDZSDXPPQEY-LBPRGKRZSA-N 0 3 264.394 2.599 10 30 CFEEHN N#Cc1csc(CN2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000092812891 375159310 /nfs/dbraw/zinc/15/93/10/375159310.db2.gz TYIWHKUJBBOKDE-ZDUSSCGKSA-N 0 3 298.415 2.949 10 30 CFEEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cccc(C#N)c1 ZINC000176262210 380204752 /nfs/dbraw/zinc/20/47/52/380204752.db2.gz HPBMLJXORWPOCW-HNNXBMFYSA-N 0 3 286.379 2.506 10 30 CFEEHN Cc1nccn1C[C@H]1CCCN1Cc1cc(C#N)cs1 ZINC000180132132 380623695 /nfs/dbraw/zinc/62/36/95/380623695.db2.gz AFVLVPSFEWANLI-CQSZACIVSA-N 0 3 286.404 2.789 10 30 CFEEHN C=CC[C@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000189094868 382540883 /nfs/dbraw/zinc/54/08/83/382540883.db2.gz SCGFJJCEDKCMID-CVEARBPZSA-N 0 3 272.392 2.509 10 30 CFEEHN C/C=C/C(=O)c1ccc(OCCN2CCCC2)cc1 ZINC000575242683 382732694 /nfs/dbraw/zinc/73/26/94/382732694.db2.gz DVYLYGZYGRLKGW-GORDUTHDSA-N 0 3 259.349 2.920 10 30 CFEEHN CCCCCCCC(=O)N1CCN2CCC[C@H]2C1 ZINC000195328286 382766559 /nfs/dbraw/zinc/76/65/59/382766559.db2.gz NRCHLZKLNFLRCE-AWEZNQCLSA-N 0 3 252.402 2.654 10 30 CFEEHN N#C[C@@H]1CCC[C@H]1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000217456753 382786820 /nfs/dbraw/zinc/78/68/20/382786820.db2.gz MXZGQQSCKOXBAJ-GVDBMIGSSA-N 0 3 269.392 2.543 10 30 CFEEHN C=C[C@@H](CC(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000245695424 383023122 /nfs/dbraw/zinc/02/31/22/383023122.db2.gz XZEFPAYWVUVMNR-RDJZCZTQSA-N 0 3 284.403 2.653 10 30 CFEEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ccc(C#N)cc1 ZINC000252660784 383424385 /nfs/dbraw/zinc/42/43/85/383424385.db2.gz DGEKBMFWMWAILZ-YOEHRIQHSA-N 0 3 269.392 2.617 10 30 CFEEHN C=C(C)CN(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105918137 262353198 /nfs/dbraw/zinc/35/31/98/262353198.db2.gz NQTYKWWLRNRPNT-CQSZACIVSA-N 0 3 280.437 2.629 10 30 CFEEHN CN(CCN(CCC#N)CC1CC1)Cc1ccc(F)cc1 ZINC000181730286 393499934 /nfs/dbraw/zinc/49/99/34/393499934.db2.gz UTVHPKZVSOEURH-UHFFFAOYSA-N 0 3 289.398 2.883 10 30 CFEEHN CCc1ccc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122329592 393968085 /nfs/dbraw/zinc/96/80/85/393968085.db2.gz GZHIQRLDSATAQR-UONOGXRCSA-N 0 3 287.407 2.660 10 30 CFEEHN CN(C)C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000007816629 170304209 /nfs/dbraw/zinc/30/42/09/170304209.db2.gz UFZUDRRTOQXRMS-KRWDZBQOSA-N 0 3 293.370 2.591 10 30 CFEEHN CN(C)C[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000020129383 171017496 /nfs/dbraw/zinc/01/74/96/171017496.db2.gz OPOHOVOOFRTIDT-SFHVURJKSA-N 0 3 279.387 2.951 10 30 CFEEHN C#CCN[C@@H](C)c1ccc(I)cc1 ZINC000037184851 173016648 /nfs/dbraw/zinc/01/66/48/173016648.db2.gz DEMRVYMWCIPVNG-VIFPVBQESA-N 0 3 285.128 2.575 10 30 CFEEHN C#CCN1CCC(Nc2ccccc2SC)CC1 ZINC000037279164 173088479 /nfs/dbraw/zinc/08/84/79/173088479.db2.gz RDJKUOSTNOHCBK-UHFFFAOYSA-N 0 3 260.406 2.918 10 30 CFEEHN NCC#Cc1ccccc1OCc1ccc(F)cc1 ZINC000037547908 173264313 /nfs/dbraw/zinc/26/43/13/173264313.db2.gz ORVFZJXSJBYOEP-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN C=C(C)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000038652313 174150927 /nfs/dbraw/zinc/15/09/27/174150927.db2.gz AMTKJHWIWZRTEY-OAHLLOKOSA-N 0 3 259.349 2.770 10 30 CFEEHN C[C@H](N)[C@@H](Oc1cccc(F)c1C#N)c1ccco1 ZINC000043337815 175012437 /nfs/dbraw/zinc/01/24/37/175012437.db2.gz UTFZPYKIGDPUCY-LKFCYVNXSA-N 0 3 260.268 2.758 10 30 CFEEHN COc1ccccc1COc1ccccc1C#CCN ZINC000043457890 175050429 /nfs/dbraw/zinc/05/04/29/175050429.db2.gz JIIHBJJQUNUNBU-UHFFFAOYSA-N 0 3 267.328 2.584 10 30 CFEEHN CCOc1cccc(CNC(C)C)c1O[C@@H](C)C#N ZINC000043513523 175061441 /nfs/dbraw/zinc/06/14/41/175061441.db2.gz INHUDGPOGIPWTK-LBPRGKRZSA-N 0 3 262.353 2.874 10 30 CFEEHN C[C@@H]1CCCN(Cc2sccc2C#CCCO)C1 ZINC000043678900 175089672 /nfs/dbraw/zinc/08/96/72/175089672.db2.gz GKPMQAWSVKEDAX-CYBMUJFWSA-N 0 3 263.406 2.714 10 30 CFEEHN C[C@H]1CCC[C@H](C)N1Cc1ccc(C#CCO)s1 ZINC000043679262 175089734 /nfs/dbraw/zinc/08/97/34/175089734.db2.gz QAUOKEYJRBHYBJ-STQMWFEESA-N 0 3 263.406 2.855 10 30 CFEEHN CC[C@H](C)N(C)Cc1sccc1C#CCCO ZINC000043679359 175089994 /nfs/dbraw/zinc/08/99/94/175089994.db2.gz XTKAXAMHNNSFTD-LBPRGKRZSA-N 0 3 251.395 2.712 10 30 CFEEHN CCCN(Cc1ccc(C#CCCO)s1)C1CC1 ZINC000043679488 175090340 /nfs/dbraw/zinc/09/03/40/175090340.db2.gz LJUAAEQFYZTNRQ-UHFFFAOYSA-N 0 3 263.406 2.856 10 30 CFEEHN Cc1nc2ccccc2n1Cc1ccc(C#CCN)s1 ZINC000043684329 175093232 /nfs/dbraw/zinc/09/32/32/175093232.db2.gz DFZCGBUZPREKRG-UHFFFAOYSA-N 0 3 281.384 2.765 10 30 CFEEHN NCC#Cc1ccc(CSc2ccccn2)s1 ZINC000043685617 175093502 /nfs/dbraw/zinc/09/35/02/175093502.db2.gz IYONSEZUFLDLLZ-UHFFFAOYSA-N 0 3 260.387 2.746 10 30 CFEEHN NCC#Cc1ccc(COc2cccc(F)c2)s1 ZINC000043684868 175093699 /nfs/dbraw/zinc/09/36/99/175093699.db2.gz DZSUXWBJPRUWND-UHFFFAOYSA-N 0 3 261.321 2.776 10 30 CFEEHN NCC#Cc1ccsc1COCCc1cccs1 ZINC000043685426 175094170 /nfs/dbraw/zinc/09/41/70/175094170.db2.gz FLAJDHDSLSRAGP-UHFFFAOYSA-N 0 3 277.414 2.879 10 30 CFEEHN CC1CCC(OCCOc2cccc(C#CCN)c2)CC1 ZINC000049610625 175492243 /nfs/dbraw/zinc/49/22/43/175492243.db2.gz ZDPHBBAYUDOKKX-UHFFFAOYSA-N 0 3 287.403 2.971 10 30 CFEEHN C=C(C)COc1cc(CNCC)ccc1[N+](=O)[O-] ZINC000050516977 175517016 /nfs/dbraw/zinc/51/70/16/175517016.db2.gz DYLGPGVVMYCDGY-UHFFFAOYSA-N 0 3 250.298 2.659 10 30 CFEEHN C=CCC1(C(=O)N(C)C[C@@H]2CCCN2CC)CCC1 ZINC000188704978 329370584 /nfs/dbraw/zinc/37/05/84/329370584.db2.gz ZIZCHOKIWQFRCI-AWEZNQCLSA-N 0 3 264.413 2.676 10 30 CFEEHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1Cl ZINC000424075764 330220789 /nfs/dbraw/zinc/22/07/89/330220789.db2.gz KJDFTNRAQSXMQK-GXFFZTMASA-N 0 3 279.771 2.538 10 30 CFEEHN C#C[C@H](CC)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000229878275 333310511 /nfs/dbraw/zinc/31/05/11/333310511.db2.gz XEIOBAUIGUFMLE-WCQYABFASA-N 0 3 277.364 2.775 10 30 CFEEHN C[C@H](CCc1ccc(O)cc1)N[C@H]1CCC[C@H]1C#N ZINC000251244407 334358728 /nfs/dbraw/zinc/35/87/28/334358728.db2.gz STLODHISJGSJCT-INWMFGNUSA-N 0 3 258.365 2.995 10 30 CFEEHN CC(C)C[C@@H]1CSC(N[C@H](C)CN2CCCC2)=N1 ZINC000049185299 519275561 /nfs/dbraw/zinc/27/55/61/519275561.db2.gz CNEWSJVLWMNHAH-CHWSQXEVSA-N 0 3 269.458 2.578 10 30 CFEEHN CCC(C)(C)N(C)CC(=O)Nc1ccccc1C#N ZINC000069433515 521301890 /nfs/dbraw/zinc/30/18/90/521301890.db2.gz GYHYJKNXCAFVRH-UHFFFAOYSA-N 0 3 259.353 2.617 10 30 CFEEHN CC[C@H](C)N1CCN(c2cc(C)ccc2C#N)CC1 ZINC000055079972 523960088 /nfs/dbraw/zinc/96/00/88/523960088.db2.gz GIWXDEQYQKWVSL-AWEZNQCLSA-N 0 3 257.381 2.787 10 30 CFEEHN CSC[C@H](C)CNCc1ccc(C#N)cc1F ZINC000069443598 525680760 /nfs/dbraw/zinc/68/07/60/525680760.db2.gz NDJXFAWTACSYBP-SNVBAGLBSA-N 0 3 252.358 2.786 10 30 CFEEHN N#Cc1ccc(CN2CCN3CCCC[C@@H]3C2)c(Cl)c1 ZINC000162921937 526615274 /nfs/dbraw/zinc/61/52/74/526615274.db2.gz ZVUZVASGSYSMHT-OAHLLOKOSA-N 0 3 289.810 2.882 10 30 CFEEHN N#Cc1ccc(NCCCNCc2cccnc2)cc1 ZINC000063197234 526660915 /nfs/dbraw/zinc/66/09/15/526660915.db2.gz FSHMGNATNYLTFI-UHFFFAOYSA-N 0 3 266.348 2.545 10 30 CFEEHN CC(C)(C)OC(=O)N1CCC[C@H](CNCC(C)(C)C#N)C1 ZINC000168920054 618202887 /nfs/dbraw/zinc/20/28/87/618202887.db2.gz DWTNMJIHWSFOSM-CYBMUJFWSA-N 0 3 295.427 2.773 10 30 CFEEHN N#CC(C(=O)[C@H]1C[C@H]1C1CC1)c1nc2ccccc2[nH]1 ZINC000246110833 650853515 /nfs/dbraw/zinc/85/35/15/650853515.db2.gz JSFQCSJLYDPQAP-SDDRHHMPSA-N 0 3 265.316 2.785 10 30 CFEEHN CC[C@@H](O)CCN(CCCC#N)Cc1ccccc1 ZINC000039080405 346341412 /nfs/dbraw/zinc/34/14/12/346341412.db2.gz VQMUXIUYGPEKME-MRXNPFEDSA-N 0 3 260.381 2.953 10 30 CFEEHN C=C[C@@H](N)c1ccc(F)cc1I ZINC000229296552 348200031 /nfs/dbraw/zinc/20/00/31/348200031.db2.gz ACOHGVUUUXWSGM-SECBINFHSA-N 0 3 277.080 2.616 10 30 CFEEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C1(C#N)CC(C)C1 ZINC000309823503 348408083 /nfs/dbraw/zinc/40/80/83/348408083.db2.gz QDOYOGGVJCUJPY-CSLYMUCUSA-N 0 3 299.418 2.563 10 30 CFEEHN CN(Cc1cc(C#N)ccc1F)C[C@H]1CCc2nccn2C1 ZINC000328646603 348442023 /nfs/dbraw/zinc/44/20/23/348442023.db2.gz STAOSWVQYHYCFE-CQSZACIVSA-N 0 3 298.365 2.588 10 30 CFEEHN N#CCCNCCCCCCCCCNCCC#N ZINC000584650301 348701993 /nfs/dbraw/zinc/70/19/93/348701993.db2.gz AGWLWSMEVQTPKV-UHFFFAOYSA-N 0 3 264.417 2.724 10 30 CFEEHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1cccc(Cl)c1 ZINC000594425391 349417153 /nfs/dbraw/zinc/41/71/53/349417153.db2.gz IAGJHIGEUWKYEM-SMDDNHRTSA-N 0 3 293.798 2.928 10 30 CFEEHN Cc1nsc(N[C@@H](C)CN2CCCCCC2)c1C#N ZINC000329172895 202216102 /nfs/dbraw/zinc/21/61/02/202216102.db2.gz AJODNKKMZOSQNL-NSHDSACASA-N 0 3 278.425 3.000 10 30 CFEEHN C=CCC[C@H](O)CN(CCOC)Cc1ccc(F)cc1 ZINC000036030907 372554253 /nfs/dbraw/zinc/55/42/53/372554253.db2.gz YKNRTKJJILIOJY-INIZCTEOSA-N 0 3 281.371 2.601 10 30 CFEEHN C=CCN(CC=C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000068048762 374019886 /nfs/dbraw/zinc/01/98/86/374019886.db2.gz BSNNFGWURFTXEP-INIZCTEOSA-N 0 3 295.810 2.892 10 30 CFEEHN C#CCOc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810879 375158797 /nfs/dbraw/zinc/15/87/97/375158797.db2.gz YPDSDKDAEMCJMX-UHFFFAOYSA-N 0 3 295.386 2.801 10 30 CFEEHN CCN1CCC[C@H]1CN(C)c1cccc(F)c1C#N ZINC000093232602 375197625 /nfs/dbraw/zinc/19/76/25/375197625.db2.gz BQXBIBLKXNEFPH-LBPRGKRZSA-N 0 3 261.344 2.618 10 30 CFEEHN C=C[C@H](CC(=O)N[C@H]1CCCN(CC)C1)c1ccccc1 ZINC000130607125 377582729 /nfs/dbraw/zinc/58/27/29/377582729.db2.gz ATMFIKIUVSJASU-WBVHZDCISA-N 0 3 286.419 2.947 10 30 CFEEHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccccc1C ZINC000181539418 380819835 /nfs/dbraw/zinc/81/98/35/380819835.db2.gz JWILNCJUVVGVOV-HIFRSBDPSA-N 0 3 287.407 2.654 10 30 CFEEHN C=CC[C@@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000189094945 382540643 /nfs/dbraw/zinc/54/06/43/382540643.db2.gz SCGFJJCEDKCMID-JKSUJKDBSA-N 0 3 272.392 2.509 10 30 CFEEHN CN(Cc1cc(F)ccc1C#N)C[C@H]1CCc2nccn2C1 ZINC000328621149 382556692 /nfs/dbraw/zinc/55/66/92/382556692.db2.gz AIHPRDFCRYBVTM-CYBMUJFWSA-N 0 3 298.365 2.588 10 30 CFEEHN C=CCCC[C@@H](C)NC(=O)N[C@H]1CCCN(CC)C1 ZINC000245648655 383018361 /nfs/dbraw/zinc/01/83/61/383018361.db2.gz GOGXXQXEIQQAEL-KGLIPLIRSA-N 0 3 267.417 2.515 10 30 CFEEHN C=C[C@@H](CC(=O)N[C@H]1CCCN(CC)C1)c1ccccc1 ZINC000245608195 383013606 /nfs/dbraw/zinc/01/36/06/383013606.db2.gz ATMFIKIUVSJASU-RDJZCZTQSA-N 0 3 286.419 2.947 10 30 CFEEHN CN(C)C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248816811 383292940 /nfs/dbraw/zinc/29/29/40/383292940.db2.gz LALMHGFCUTUIHK-OIISXLGYSA-N 0 3 271.408 2.961 10 30 CFEEHN C=CCC[C@@H](O)CN(CCCOC)Cc1cccs1 ZINC000036096596 393522859 /nfs/dbraw/zinc/52/28/59/393522859.db2.gz OOGWOIWMWRYHMK-CQSZACIVSA-N 0 3 283.437 2.914 10 30 CFEEHN N#CCSCCCN1CCCC[C@H]1c1cn[nH]c1 ZINC000174159657 394377776 /nfs/dbraw/zinc/37/77/76/394377776.db2.gz OTNMVOFVKSDQKL-ZDUSSCGKSA-N 0 3 264.398 2.584 10 30 CFEEHN CN(C)CCN[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000020177286 171042991 /nfs/dbraw/zinc/04/29/91/171042991.db2.gz ZLGJVMUEDSGROF-NSHDSACASA-N 0 3 272.179 2.709 10 30 CFEEHN CC[C@@H](C)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000040415533 174255585 /nfs/dbraw/zinc/25/55/85/174255585.db2.gz CLVGHASWWFIMBE-MRVPVSSYSA-N 0 3 265.382 2.563 10 30 CFEEHN NCC#Cc1ccc2cc(OC[C@H]3CCOC3)ccc2c1 ZINC000042477921 174755955 /nfs/dbraw/zinc/75/59/55/174755955.db2.gz ZWISOZXOKMPBEU-HNNXBMFYSA-N 0 3 281.355 2.565 10 30 CFEEHN C[C@@H](N(C)C(=O)c1ccccc1C#CCN)C(C)(C)C ZINC000042797754 174881945 /nfs/dbraw/zinc/88/19/45/174881945.db2.gz GVYFMLMZBFIGRM-CYBMUJFWSA-N 0 3 272.392 2.503 10 30 CFEEHN CC[C@@H](C#N)Oc1cc(OC)ccc1CNC(C)C ZINC000043539000 175064084 /nfs/dbraw/zinc/06/40/84/175064084.db2.gz QCLJIIULYQVHEJ-ZDUSSCGKSA-N 0 3 262.353 2.874 10 30 CFEEHN CCCCN(CC)Cc1sccc1C#CCO ZINC000043679109 175089830 /nfs/dbraw/zinc/08/98/30/175089830.db2.gz WZXKYYKWHCZALZ-UHFFFAOYSA-N 0 3 251.395 2.714 10 30 CFEEHN NCC#Cc1ccc(CN(CC(F)(F)F)C2CC2)s1 ZINC000043684265 175092901 /nfs/dbraw/zinc/09/29/01/175092901.db2.gz IIDQVKBAKTWIJR-UHFFFAOYSA-N 0 3 288.338 2.585 10 30 CFEEHN NCC#Cc1ccsc1COc1ccc(F)cc1 ZINC000043684830 175093488 /nfs/dbraw/zinc/09/34/88/175093488.db2.gz XMXPYZNVTFOFFX-UHFFFAOYSA-N 0 3 261.321 2.776 10 30 CFEEHN NCC#Cc1cccc(Cn2ccnc2-c2cccs2)c1 ZINC000045048663 175296980 /nfs/dbraw/zinc/29/69/80/175296980.db2.gz ZEAXGOTVLVMZTA-UHFFFAOYSA-N 0 3 293.395 2.970 10 30 CFEEHN Cc1nn(Cc2ccc(C#CCN)cc2F)c(C)c1Cl ZINC000050587888 175517811 /nfs/dbraw/zinc/51/78/11/175517811.db2.gz YVEAGKFRRDTWHN-UHFFFAOYSA-N 0 3 291.757 2.651 10 30 CFEEHN C[C@H](N)c1nc(C2CC2)ncc1-c1ccc(C#N)cc1 ZINC000090567201 279423190 /nfs/dbraw/zinc/42/31/90/279423190.db2.gz NBRFXEGGFJVEFI-JTQLQIEISA-N 0 3 264.332 2.912 10 30 CFEEHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1 ZINC000119306492 327899293 /nfs/dbraw/zinc/89/92/93/327899293.db2.gz ANYOJJHXCTUDRZ-UONOGXRCSA-N 0 3 280.371 2.628 10 30 CFEEHN C=CC1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)CC1 ZINC000111826659 328378292 /nfs/dbraw/zinc/37/82/92/328378292.db2.gz LXQVJKLUGARAEM-OAHLLOKOSA-N 0 3 281.444 2.570 10 30 CFEEHN C[C@H]1CN2CCCC[C@H]2CN1CCCC(C)(C)C#N ZINC000252606213 327006516 /nfs/dbraw/zinc/00/65/16/327006516.db2.gz QJDFWZZPVHCEHI-GJZGRUSLSA-N 0 3 263.429 2.875 10 30 CFEEHN C=C(C)CN(C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000181296276 329230420 /nfs/dbraw/zinc/23/04/20/329230420.db2.gz QQLJEKALDPMJJN-OAHLLOKOSA-N 0 3 283.799 2.725 10 30 CFEEHN C=C(C)C[C@@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000185153391 329266687 /nfs/dbraw/zinc/26/66/87/329266687.db2.gz ZVSNGZAOBVBFPC-ZIAGYGMSSA-N 0 3 254.418 2.681 10 30 CFEEHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424077382 330221003 /nfs/dbraw/zinc/22/10/03/330221003.db2.gz NXSSGSZVDFOYOQ-GWCFXTLKSA-N 0 3 279.771 2.538 10 30 CFEEHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)s1 ZINC000424099942 330232802 /nfs/dbraw/zinc/23/28/02/330232802.db2.gz NFVVMMQFFHWGNJ-IUCAKERBSA-N 0 3 285.800 2.600 10 30 CFEEHN C#CCOc1ccc(Cl)cc1CNCCCCCO ZINC000045946045 330350009 /nfs/dbraw/zinc/35/00/09/330350009.db2.gz PQDBFBHMDKNNDU-UHFFFAOYSA-N 0 3 281.783 2.604 10 30 CFEEHN CC[C@H](CC#N)N[C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400367212 332707765 /nfs/dbraw/zinc/70/77/65/332707765.db2.gz SBYUIAGAEWKNPC-BFHYXJOUSA-N 0 3 295.427 2.914 10 30 CFEEHN C=C(Cl)CN[C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400446307 332710202 /nfs/dbraw/zinc/71/02/02/332710202.db2.gz PPTUWAFNFOVDGF-VXGBXAGGSA-N 0 3 288.819 2.974 10 30 CFEEHN C=C(C)C[C@H](C)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000185755500 333148159 /nfs/dbraw/zinc/14/81/59/333148159.db2.gz QGVVQDIDMFTRSC-KBPBESRZSA-N 0 3 252.402 2.531 10 30 CFEEHN C[C@@H](NCCOCCC#N)c1ccc(Cl)s1 ZINC000339086501 335141430 /nfs/dbraw/zinc/14/14/30/335141430.db2.gz MCCGHPGWSBMINL-SECBINFHSA-N 0 3 258.774 2.982 10 30 CFEEHN C=C(C)CN(CC)c1ccc(CNCC(C)C)nn1 ZINC000051437134 518601782 /nfs/dbraw/zinc/60/17/82/518601782.db2.gz RVYSPQWNQJKREX-UHFFFAOYSA-N 0 3 262.401 2.625 10 30 CFEEHN CC(C)CC[C@H](C)NC(=O)c1cccc(C#CCN)c1 ZINC000069235781 519691344 /nfs/dbraw/zinc/69/13/44/519691344.db2.gz KVEVOFBPVBCXEX-AWEZNQCLSA-N 0 3 272.392 2.551 10 30 CFEEHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000120565770 617730252 /nfs/dbraw/zinc/73/02/52/617730252.db2.gz RCIPHCAAAAXLRA-KGLIPLIRSA-N 0 3 286.419 2.773 10 30 CFEEHN C=CCN1CCC(Nc2cncc3cccnc32)CC1 ZINC000223134708 622980635 /nfs/dbraw/zinc/98/06/35/622980635.db2.gz VRSIZWXPSYPRDD-UHFFFAOYSA-N 0 3 268.364 2.692 10 30 CFEEHN C=CCOc1ccccc1CN[C@@H]1CCC[C@H](O)C1 ZINC000037321032 346328681 /nfs/dbraw/zinc/32/86/81/346328681.db2.gz YTUDDRAUYOYUEF-CABCVRRESA-N 0 3 261.365 2.645 10 30 CFEEHN COc1ccc(CCN[C@@H]2CCCC[C@H]2C#N)cc1 ZINC000054823419 346577186 /nfs/dbraw/zinc/57/71/86/346577186.db2.gz BSELZMHFMWRLOE-GOEBONIOSA-N 0 3 258.365 2.910 10 30 CFEEHN C#CCCN1CCN(c2ccnc3c(C)cccc23)CC1 ZINC000091480544 347589270 /nfs/dbraw/zinc/58/92/70/347589270.db2.gz LAFCJIAQXJKXAL-UHFFFAOYSA-N 0 3 279.387 2.689 10 30 CFEEHN C=C(C)[C@H](N)c1ccccc1I ZINC000131419313 347878257 /nfs/dbraw/zinc/87/82/57/347878257.db2.gz YLXTUKNLAAQWNV-JTQLQIEISA-N 0 3 273.117 2.867 10 30 CFEEHN C=CCCCN(C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000152296662 347968117 /nfs/dbraw/zinc/96/81/17/347968117.db2.gz VSPGCDYISROFSM-CQSZACIVSA-N 0 3 269.433 2.570 10 30 CFEEHN CCCCCCCCN1CCC[C@H](NC(C)=O)C1 ZINC000157593471 348001845 /nfs/dbraw/zinc/00/18/45/348001845.db2.gz MBMLHDCJQFLICC-HNNXBMFYSA-N 0 3 254.418 2.947 10 30 CFEEHN C#CC[C@H](NC)c1csc(I)c1 ZINC000168574990 348049234 /nfs/dbraw/zinc/04/92/34/348049234.db2.gz DRYSDIKEYDOHSM-QMMMGPOBSA-N 0 3 291.157 2.637 10 30 CFEEHN Cc1cc(C#N)ccc1CN1CCN2CCCC[C@H]2C1 ZINC000251494475 348291984 /nfs/dbraw/zinc/29/19/84/348291984.db2.gz DDBFENMZWJVGKW-KRWDZBQOSA-N 0 3 269.392 2.537 10 30 CFEEHN N#CC(c1cccnc1Cl)S(=O)(=O)c1ccccc1 ZINC000584633640 348697131 /nfs/dbraw/zinc/69/71/31/348697131.db2.gz WYCQUSZYBRHLLW-LBPRGKRZSA-N 0 3 292.747 2.774 10 30 CFEEHN CCC#CCN1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1 ZINC000091594224 180201548 /nfs/dbraw/zinc/20/15/48/180201548.db2.gz CEJSGYVBKMGIKN-ZWKOTPCHSA-N 0 3 296.414 2.523 10 30 CFEEHN CCn1cnnc1C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000105929551 186092440 /nfs/dbraw/zinc/09/24/40/186092440.db2.gz KQXZQKQBNXOOBF-UHFFFAOYSA-N 0 3 295.390 2.549 10 30 CFEEHN N#C[C@H]1[C@H]2CSC[C@@H]1CN(Cc1ccccc1)C2 ZINC000100559173 283070865 /nfs/dbraw/zinc/07/08/65/283070865.db2.gz MNHXONWSQPABFI-FICVDOATSA-N 0 3 258.390 2.621 10 30 CFEEHN C=CCC[C@H](O)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181552592 189300319 /nfs/dbraw/zinc/30/03/19/189300319.db2.gz CWZDIZZKARXJIW-GJZGRUSLSA-N 0 3 278.352 2.963 10 30 CFEEHN COc1ccc([C@@H](CNc2ccc(C#N)nc2)N(C)C)cc1 ZINC000301578243 201076948 /nfs/dbraw/zinc/07/69/48/201076948.db2.gz MZUSAHIQIWTQNL-QGZVFWFLSA-N 0 3 296.374 2.677 10 30 CFEEHN CCC1S/C(=N\c2ccccc2Cl)NC1=O ZINC000011638048 371922842 /nfs/dbraw/zinc/92/28/42/371922842.db2.gz GUBZNFIBCFUHPQ-VIFPVBQESA-N 0 3 254.742 2.969 10 30 CFEEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1 ZINC000083704522 374755476 /nfs/dbraw/zinc/75/54/76/374755476.db2.gz DGEKBMFWMWAILZ-WMLDXEAASA-N 0 3 269.392 2.617 10 30 CFEEHN C[C@@H]1CN2CCCC[C@@H]2CN1c1cccc(F)c1C#N ZINC000083704236 374755610 /nfs/dbraw/zinc/75/56/10/374755610.db2.gz NSDRMWMFZZRLPX-CHWSQXEVSA-N 0 3 273.355 2.760 10 30 CFEEHN C=CCOc1ccccc1CNC[C@@H]1CCC[C@@H]1O ZINC000089161259 374879236 /nfs/dbraw/zinc/87/92/36/374879236.db2.gz OLAHDVLOENDQRG-ZFWWWQNUSA-N 0 3 261.365 2.502 10 30 CFEEHN CC(C)(CCC#N)CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000091979496 375074532 /nfs/dbraw/zinc/07/45/32/375074532.db2.gz SZNJZIRONXVHPN-UONOGXRCSA-N 0 3 250.386 2.960 10 30 CFEEHN Cn1cc([C@@H]2CCCN2CC(C)(C)CCC#N)cn1 ZINC000131976971 377786464 /nfs/dbraw/zinc/78/64/64/377786464.db2.gz IPCZKEMPQCZIBZ-AWEZNQCLSA-N 0 3 260.385 2.887 10 30 CFEEHN CCN1CCC[C@H]1CN(C)c1ncc(C#N)cc1Cl ZINC000175168238 380011694 /nfs/dbraw/zinc/01/16/94/380011694.db2.gz XJHLHZGSLMNDPH-LBPRGKRZSA-N 0 3 278.787 2.527 10 30 CFEEHN Cc1ccnc(NC[C@@H]2CCN(Cc3ccc(C#N)o3)C2)c1 ZINC000371371186 381602351 /nfs/dbraw/zinc/60/23/51/381602351.db2.gz ASYMMQCGLYDMIG-AWEZNQCLSA-N 0 3 296.374 2.789 10 30 CFEEHN C[C@@H](CNc1c(C#N)cccc1C#N)N1CCC[C@@H](C)C1 ZINC000302860104 382335828 /nfs/dbraw/zinc/33/58/28/382335828.db2.gz UMPHCWHUCTZHCD-KGLIPLIRSA-N 0 3 282.391 2.962 10 30 CFEEHN C=CCC[C@@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000189111536 382546677 /nfs/dbraw/zinc/54/66/77/382546677.db2.gz PURJBRWZYWVKMF-DLBZAZTESA-N 0 3 286.419 2.899 10 30 CFEEHN C=C(C)C(=O)c1ccc(OCCN2CCCC2)cc1 ZINC000575243096 382732504 /nfs/dbraw/zinc/73/25/04/382732504.db2.gz QAXSMIYHRVPOEL-UHFFFAOYSA-N 0 3 259.349 2.920 10 30 CFEEHN CC(C)(CCC#N)CN1CCO[C@@H]2CCCC[C@H]21 ZINC000245545240 383005348 /nfs/dbraw/zinc/00/53/48/383005348.db2.gz SZNJZIRONXVHPN-ZIAGYGMSSA-N 0 3 250.386 2.960 10 30 CFEEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1cc(C#N)ccc1F ZINC000252660827 383424407 /nfs/dbraw/zinc/42/44/07/383424407.db2.gz DZSZYMCKLXWQCM-BBRMVZONSA-N 0 3 287.382 2.756 10 30 CFEEHN C=CCCC(C)(C)CNC(=O)[C@]1(C)CCCCN1 ZINC000638874657 385007320 /nfs/dbraw/zinc/00/73/20/385007320.db2.gz JHPWAJLDERRUSK-HNNXBMFYSA-N 0 3 252.402 2.627 10 30 CFEEHN C[C@H](NCCC(=O)N(C)CCC#N)c1ccc(Cl)s1 ZINC000183007924 393515041 /nfs/dbraw/zinc/51/50/41/393515041.db2.gz SLQKODVAJCGYHJ-JTQLQIEISA-N 0 3 299.827 2.814 10 30 CFEEHN COCC#CCN[C@@H](C)c1cccc(Br)c1 ZINC000381740613 543090640 /nfs/dbraw/zinc/09/06/40/543090640.db2.gz OWOUDORLDCQLRH-NSHDSACASA-N 0 3 282.181 2.750 10 30 CFEEHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(C)n1CC ZINC000661114846 413765474 /nfs/dbraw/zinc/76/54/74/413765474.db2.gz NHCLCFLSIJWEJL-KBPBESRZSA-N 0 3 262.401 2.831 10 30 CFEEHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C)n1CC ZINC000661114848 413767078 /nfs/dbraw/zinc/76/70/78/413767078.db2.gz NHCLCFLSIJWEJL-UONOGXRCSA-N 0 3 262.401 2.831 10 30 CFEEHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(CC)cc1 ZINC000037978087 173935407 /nfs/dbraw/zinc/93/54/07/173935407.db2.gz GDXXGUUOHNSLPH-QWHCGFSZSA-N 0 3 260.381 2.590 10 30 CFEEHN CN(C)CCOc1ccc(C(F)(F)F)cc1C#N ZINC000040239864 174213095 /nfs/dbraw/zinc/21/30/95/174213095.db2.gz XZRODJXVHNVONX-UHFFFAOYSA-N 0 3 258.243 2.517 10 30 CFEEHN C=C(C)COc1cc2c(cc1CNC(C)C)OCO2 ZINC000042874852 174899734 /nfs/dbraw/zinc/89/97/34/174899734.db2.gz IXJCLKMKNAUDMM-UHFFFAOYSA-N 0 3 263.337 2.868 10 30 CFEEHN CCNCc1cccc(Br)c1O[C@H](C)C#N ZINC000043513833 175061728 /nfs/dbraw/zinc/06/17/28/175061728.db2.gz ZTUCUNYKBWKJQA-SECBINFHSA-N 0 3 283.169 2.849 10 30 CFEEHN CN[C@@H]1CC(C)(C)Oc2cc(O[C@H](C)C#N)ccc21 ZINC000043513899 175061757 /nfs/dbraw/zinc/06/17/57/175061757.db2.gz OMXYZRHVYCNHGO-ZWNOBZJWSA-N 0 3 260.337 2.799 10 30 CFEEHN CCCNCc1cc(OC)ccc1O[C@H](C#N)CC ZINC000043538668 175063700 /nfs/dbraw/zinc/06/37/00/175063700.db2.gz OFNDAXZQURTGBS-ZDUSSCGKSA-N 0 3 262.353 2.876 10 30 CFEEHN C[C@@H]1CCCN(Cc2ccc(C#CCCO)s2)C1 ZINC000043678888 175089485 /nfs/dbraw/zinc/08/94/85/175089485.db2.gz WGMMWNCKBHAPHM-CYBMUJFWSA-N 0 3 263.406 2.714 10 30 CFEEHN Cc1ccc(CN(C)Cc2ccc(C#CCN)s2)o1 ZINC000043683679 175092170 /nfs/dbraw/zinc/09/21/70/175092170.db2.gz SZJBEBUWBFAGGQ-UHFFFAOYSA-N 0 3 274.389 2.592 10 30 CFEEHN NCC#Cc1ccc(COc2cccc([N+](=O)[O-])c2)s1 ZINC000043685369 175093677 /nfs/dbraw/zinc/09/36/77/175093677.db2.gz INQGQDQHFCFJRD-UHFFFAOYSA-N 0 3 288.328 2.546 10 30 CFEEHN Cc1nc2ccccc2n1Cc1cc(C#CCN)cs1 ZINC000043689170 175096262 /nfs/dbraw/zinc/09/62/62/175096262.db2.gz DVKDJLPKUNGOOH-UHFFFAOYSA-N 0 3 281.384 2.765 10 30 CFEEHN CCC(CC)C(=O)N[C@H](C)c1ccc(C#CCN)cc1 ZINC000049586772 175489731 /nfs/dbraw/zinc/48/97/31/175489731.db2.gz SDZTWNSVFACGOP-CYBMUJFWSA-N 0 3 272.392 2.610 10 30 CFEEHN C[C@H](NC(=O)c1cccs1)c1cccc(C#CCN)c1 ZINC000049587167 175490168 /nfs/dbraw/zinc/49/01/68/175490168.db2.gz FVNBLGVHNRCZGT-LBPRGKRZSA-N 0 3 284.384 2.549 10 30 CFEEHN COc1ccc(COc2ccc(F)cc2)cc1C#CCN ZINC000049610517 175492563 /nfs/dbraw/zinc/49/25/63/175492563.db2.gz UJTKTUHMVYEQEN-UHFFFAOYSA-N 0 3 285.318 2.724 10 30 CFEEHN Cc1ccccc1OCc1ccc(C#CCN)cc1 ZINC000049610505 175492711 /nfs/dbraw/zinc/49/27/11/175492711.db2.gz GNHYWOFXFFMNJC-UHFFFAOYSA-N 0 3 251.329 2.884 10 30 CFEEHN Cc1ncoc1C(=O)N[C@H](C)CN1CCCCCC1 ZINC000330109602 228042018 /nfs/dbraw/zinc/04/20/18/228042018.db2.gz PKDKWDNATPKVOQ-LLVKDONJSA-N 0 3 265.357 2.552 10 30 CFEEHN C[C@H](CCc1ccc(O)cc1)N[C@H]1CCC[C@@H]1C#N ZINC000061891429 262405770 /nfs/dbraw/zinc/40/57/70/262405770.db2.gz STLODHISJGSJCT-XPKDYRNWSA-N 0 3 258.365 2.995 10 30 CFEEHN C[C@@H](N)c1nc(C2CC2)ncc1-c1ccc(C#N)cc1 ZINC000090567202 278319347 /nfs/dbraw/zinc/31/93/47/278319347.db2.gz NBRFXEGGFJVEFI-SNVBAGLBSA-N 0 3 264.332 2.912 10 30 CFEEHN C[C@@H](NC[C@H](C)C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551195 328306855 /nfs/dbraw/zinc/30/68/55/328306855.db2.gz GCZPHLIPVZLCOU-MGPQQGTHSA-N 0 3 295.427 2.771 10 30 CFEEHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)s1 ZINC000424099943 330232913 /nfs/dbraw/zinc/23/29/13/330232913.db2.gz NFVVMMQFFHWGNJ-RKDXNWHRSA-N 0 3 285.800 2.600 10 30 CFEEHN C=CC[C@@H](C(=O)N[C@@H]1CCCN(CC)C1)c1ccccc1 ZINC000249560158 334336815 /nfs/dbraw/zinc/33/68/15/334336815.db2.gz LJHJGJHJAWAATA-IAGOWNOFSA-N 0 3 286.419 2.947 10 30 CFEEHN CCCCC[C@H](C)NC(=O)c1ccc(C#CCN)cc1 ZINC000049105935 520308184 /nfs/dbraw/zinc/30/81/84/520308184.db2.gz ZEDPINBIOIKRFS-AWEZNQCLSA-N 0 3 272.392 2.695 10 30 CFEEHN CC[C@@H](C)N1CCN(c2cc(C)ccc2C#N)CC1 ZINC000055079970 522133309 /nfs/dbraw/zinc/13/33/09/522133309.db2.gz GIWXDEQYQKWVSL-CQSZACIVSA-N 0 3 257.381 2.787 10 30 CFEEHN CC[C@H](C)N1CCN([C@H]2CCCCC[C@@H]2C#N)CC1 ZINC000055066476 523959322 /nfs/dbraw/zinc/95/93/22/523959322.db2.gz YVKWSSDXMYMZJT-XHSDSOJGSA-N 0 3 263.429 2.875 10 30 CFEEHN C[C@H](CN1CCCC1)N[C@@H](CC#N)c1ccccc1 ZINC000055017975 524318297 /nfs/dbraw/zinc/31/82/97/524318297.db2.gz SHTGIPVEMRLSHK-ZBFHGGJFSA-N 0 3 257.381 2.715 10 30 CFEEHN C[C@@H](C#N)Oc1ccc(CNC2CC2)cc1Br ZINC000062702232 526238450 /nfs/dbraw/zinc/23/84/50/526238450.db2.gz DOWWUAPZBKJUIK-VIFPVBQESA-N 0 3 295.180 2.992 10 30 CFEEHN CCCCC/C(=N/OCCN)c1ccc(C)c(N)c1 ZINC000004215179 346209432 /nfs/dbraw/zinc/20/94/32/346209432.db2.gz ZIWQJHATUBOOFD-SDXDJHTJSA-N 0 3 263.385 2.837 10 30 in-man CFEEHN COc1ccc(CCN[C@H]2CCCC[C@@H]2C#N)cc1 ZINC000054823418 346577388 /nfs/dbraw/zinc/57/73/88/346577388.db2.gz BSELZMHFMWRLOE-ZBFHGGJFSA-N 0 3 258.365 2.910 10 30 CFEEHN C=CCCCN(C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000152296576 347968312 /nfs/dbraw/zinc/96/83/12/347968312.db2.gz VSPGCDYISROFSM-AWEZNQCLSA-N 0 3 269.433 2.570 10 30 CFEEHN CC#CCN[C@@H](C)c1ccc(I)cc1 ZINC000162008032 348028512 /nfs/dbraw/zinc/02/85/12/348028512.db2.gz QZBDGMWLSGKMMD-JTQLQIEISA-N 0 3 299.155 2.965 10 30 CFEEHN C=CCN1CC[C@@H]2[C@H](C1)C2(Br)Br ZINC000307168205 348396795 /nfs/dbraw/zinc/39/67/95/348396795.db2.gz UJRRKTWKEIWUIJ-SFYZADRCSA-N 0 3 295.018 2.610 10 30 CFEEHN CN(C)CCN=Nc1ccnc2cc(Cl)ccc12 ZINC000584590520 348681763 /nfs/dbraw/zinc/68/17/63/348681763.db2.gz BBAXYWRRSZCJJJ-FRKPEAEDSA-N 0 3 262.744 2.848 10 30 CFEEHN CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594428296 349418571 /nfs/dbraw/zinc/41/85/71/349418571.db2.gz MHNZEOROUWCHRT-LSDHHAIUSA-N 0 3 273.380 2.665 10 30 CFEEHN CCCN1CCCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000302077204 201334408 /nfs/dbraw/zinc/33/44/08/201334408.db2.gz AIESAKJYBGDLNN-UHFFFAOYSA-N 0 3 285.391 2.683 10 30 CFEEHN CC(C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000012669050 371980896 /nfs/dbraw/zinc/98/08/96/371980896.db2.gz NVNIZEAWLZNZML-NEPJUHHUSA-N 0 3 259.353 2.519 10 30 CFEEHN C=CCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000065517016 373883018 /nfs/dbraw/zinc/88/30/18/373883018.db2.gz SQMGSBCWUDTMPB-INIZCTEOSA-N 0 3 287.407 2.526 10 30 CFEEHN C=CCC[C@H](N[C@@H]1CCCn2nc(C)nc21)C1CC1 ZINC000090224811 375006816 /nfs/dbraw/zinc/00/68/16/375006816.db2.gz WAFGQGHDXNEQAN-UONOGXRCSA-N 0 3 260.385 2.756 10 30 CFEEHN CC(C)(CCC#N)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000091979495 375073640 /nfs/dbraw/zinc/07/36/40/375073640.db2.gz SZNJZIRONXVHPN-KBPBESRZSA-N 0 3 250.386 2.960 10 30 CFEEHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc2ccccc2c1 ZINC000119306594 376391804 /nfs/dbraw/zinc/39/18/04/376391804.db2.gz ANYOJJHXCTUDRZ-ZIAGYGMSSA-N 0 3 280.371 2.628 10 30 CFEEHN Cc1nccn1C[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000121677876 376882866 /nfs/dbraw/zinc/88/28/66/376882866.db2.gz WMXXITXEZUUEBQ-MRXNPFEDSA-N 0 3 298.365 2.867 10 30 CFEEHN N#Cc1cccc(OCCCN2C[C@@H]3CCC[C@@H]32)c1 ZINC000357623871 382255844 /nfs/dbraw/zinc/25/58/44/382255844.db2.gz UIKQNKIHIOJRQH-HOCLYGCPSA-N 0 3 256.349 2.811 10 30 CFEEHN CC[C@](C)(N)C#Cc1sccc1Br ZINC000307603077 382468513 /nfs/dbraw/zinc/46/85/13/382468513.db2.gz YMXMAVZYIACJMZ-JTQLQIEISA-N 0 3 258.184 2.990 10 30 CFEEHN C=CC[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000189256621 382576047 /nfs/dbraw/zinc/57/60/47/382576047.db2.gz XDWZWNBWJKJNLX-IAGOWNOFSA-N 0 3 284.403 2.653 10 30 CFEEHN CC(C)(C)OC(=O)Nc1sc2c(c1C#N)CCNC2 ZINC000575459270 382772154 /nfs/dbraw/zinc/77/21/54/382772154.db2.gz RFRASKWQFAXVNR-UHFFFAOYSA-N 0 3 279.365 2.612 10 30 CFEEHN C#C[C@H](N)c1ccc(I)c(Cl)c1 ZINC000232361438 382868797 /nfs/dbraw/zinc/86/87/97/382868797.db2.gz IXMACOOYDLNAAC-VIFPVBQESA-N 0 3 291.519 2.578 10 30 CFEEHN N#Cc1ccc([C@H](O)CN2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000248282385 383222691 /nfs/dbraw/zinc/22/26/91/383222691.db2.gz VSTLGGDKTSFFFV-DLBZAZTESA-N 0 3 296.374 2.542 10 30 CFEEHN C[C@@H](c1cccc(C#N)c1)N1CCN2CCCC[C@H]2C1 ZINC000249259996 383335827 /nfs/dbraw/zinc/33/58/27/383335827.db2.gz HLAGHGOMJMFCHQ-YOEHRIQHSA-N 0 3 269.392 2.789 10 30 CFEEHN CO[C@@H]1CCC12CCN(Cc1ccc(C#N)cc1)CC2 ZINC000257179644 383490698 /nfs/dbraw/zinc/49/06/98/383490698.db2.gz JCRHPTRQNPOXJO-MRXNPFEDSA-N 0 3 270.376 2.949 10 30 CFEEHN C=CCC[C@@H](O)CN(CCCOC)Cc1ccsc1 ZINC000036099449 393522554 /nfs/dbraw/zinc/52/25/54/393522554.db2.gz DFDZYDPQQMUXGY-OAHLLOKOSA-N 0 3 283.437 2.914 10 30 CFEEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccccc1C#N ZINC000083704264 393744610 /nfs/dbraw/zinc/74/46/10/393744610.db2.gz QQUQCMHZHCIEOK-WMLDXEAASA-N 0 3 269.392 2.617 10 30 CFEEHN CC(C)c1ccc2ncc(C#N)c(N3CCNCC3)c2c1 ZINC000420131887 394084365 /nfs/dbraw/zinc/08/43/65/394084365.db2.gz XSBGSTOTZQWLQC-UHFFFAOYSA-N 0 3 280.375 2.639 10 30 CFEEHN C=CCNCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000004894389 170037187 /nfs/dbraw/zinc/03/71/87/170037187.db2.gz QWLYYHSWOIXPAE-UHFFFAOYSA-N 0 3 280.371 2.668 10 30 CFEEHN Cc1ccc(COc2ccccc2C#CCN)cc1 ZINC000037547907 173264378 /nfs/dbraw/zinc/26/43/78/173264378.db2.gz YYXXUVKQTRSEGJ-UHFFFAOYSA-N 0 3 251.329 2.884 10 30 CFEEHN CSc1nc2c(c(-c3ccco3)c1C#N)CN(C)CC2 ZINC000040569911 174338562 /nfs/dbraw/zinc/33/85/62/174338562.db2.gz VTOMQNMDJOLBRJ-UHFFFAOYSA-N 0 3 285.372 2.923 10 30 CFEEHN CN[C@@H]1CC(C)(C)Oc2cc(O[C@@H](C)C#N)ccc21 ZINC000043513898 175061715 /nfs/dbraw/zinc/06/17/15/175061715.db2.gz OMXYZRHVYCNHGO-GXFFZTMASA-N 0 3 260.337 2.799 10 30 CFEEHN CCc1ccc(C(=O)NCc2ccccc2C#CCN)s1 ZINC000043640342 175084422 /nfs/dbraw/zinc/08/44/22/175084422.db2.gz YKDSFJJKZUQQII-UHFFFAOYSA-N 0 3 298.411 2.551 10 30 CFEEHN CCc1ccc(C(=O)Nc2cccc(C#CCN)c2)s1 ZINC000043640333 175084626 /nfs/dbraw/zinc/08/46/26/175084626.db2.gz FPYDXISMOVITKB-UHFFFAOYSA-N 0 3 284.384 2.873 10 30 CFEEHN CCCN(CC)Cc1sccc1C#CCCO ZINC000043679388 175090608 /nfs/dbraw/zinc/09/06/08/175090608.db2.gz LYFXCTITCODMQA-UHFFFAOYSA-N 0 3 251.395 2.714 10 30 CFEEHN CC[C@H](C)N(CCOC)Cc1ccc(C#CCCO)s1 ZINC000043681983 175091099 /nfs/dbraw/zinc/09/10/99/175091099.db2.gz BQMVOWXJQZGFOS-AWEZNQCLSA-N 0 3 295.448 2.729 10 30 CFEEHN NCC#Cc1ccc(COc2ccc(F)cc2F)s1 ZINC000043684598 175092896 /nfs/dbraw/zinc/09/28/96/175092896.db2.gz UYOPPMJCVCJQFM-UHFFFAOYSA-N 0 3 279.311 2.916 10 30 CFEEHN COc1ccc(COCc2sccc2C#CCN)cc1 ZINC000043685139 175093719 /nfs/dbraw/zinc/09/37/19/175093719.db2.gz UCTKMHLKEQWFSP-UHFFFAOYSA-N 0 3 287.384 2.784 10 30 CFEEHN CC1(NC(=O)c2ccc(F)cc2C#CCN)CCCCC1 ZINC000045047652 175297014 /nfs/dbraw/zinc/29/70/14/175297014.db2.gz PNYXYVSYQFEOAI-UHFFFAOYSA-N 0 3 288.366 2.589 10 30 CFEEHN Cc1ccsc1C(=O)N[C@@H](C)c1cccc(C#CCN)c1 ZINC000049587238 175490011 /nfs/dbraw/zinc/49/00/11/175490011.db2.gz VWJMCHVWBURUDN-ZDUSSCGKSA-N 0 3 298.411 2.858 10 30 CFEEHN COc1ccccc1OCc1cccc(C#CCN)c1 ZINC000049610556 175492417 /nfs/dbraw/zinc/49/24/17/175492417.db2.gz JNKLWLIKBULNLE-UHFFFAOYSA-N 0 3 267.328 2.584 10 30 CFEEHN NCC#Cc1ccc(COc2ccc(F)cc2)c(F)c1 ZINC000049610519 175492773 /nfs/dbraw/zinc/49/27/73/175492773.db2.gz AZOAXBMQWKSGSB-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN COc1ccc(C#CCCO)cc1CN1CCCCCC1 ZINC000049616119 175494188 /nfs/dbraw/zinc/49/41/88/175494188.db2.gz NKWZDKBFWHJGGF-UHFFFAOYSA-N 0 3 287.403 2.805 10 30 CFEEHN CN(Cc1ccc(F)cc1C#CCN)c1ccccc1F ZINC000050006621 175506525 /nfs/dbraw/zinc/50/65/25/175506525.db2.gz DWQOYNHPFACIKF-UHFFFAOYSA-N 0 3 286.325 2.911 10 30 CFEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CCCC#N)C1 ZINC000195254423 262248623 /nfs/dbraw/zinc/24/86/23/262248623.db2.gz AUYNKQCJFXRXCA-AWEZNQCLSA-N 0 3 292.452 2.509 10 30 CFEEHN CC[C@H]1CN2CCC[C@@H]2CN1c1ncc(C#N)cc1Cl ZINC000174924166 281196207 /nfs/dbraw/zinc/19/62/07/281196207.db2.gz SDTIUKITAICPIA-QWHCGFSZSA-N 0 3 290.798 2.670 10 30 CFEEHN N#C[C@H]1CCC[C@H](N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1 ZINC000333948702 303167375 /nfs/dbraw/zinc/16/73/75/303167375.db2.gz WOKDRLZYBRACTF-SCNOPHJPSA-N 0 3 297.402 2.678 10 30 CFEEHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000424104639 330233867 /nfs/dbraw/zinc/23/38/67/330233867.db2.gz UZAWQCOTKOZSQT-HIFRSBDPSA-N 0 3 273.380 2.502 10 30 CFEEHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(CC)o1 ZINC000253606813 333185969 /nfs/dbraw/zinc/18/59/69/333185969.db2.gz ZDQWZKXHYFXURY-HZPDHXFCSA-N 0 3 288.391 2.593 10 30 CFEEHN N#C[C@@H]1CCC[C@H]1NC1CCN(c2ccccc2)CC1 ZINC000224376735 333220008 /nfs/dbraw/zinc/22/00/08/333220008.db2.gz PSHRWJBSWHPMAW-WMLDXEAASA-N 0 3 269.392 2.937 10 30 CFEEHN C#C[C@@H](CC)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000229878273 333310572 /nfs/dbraw/zinc/31/05/72/333310572.db2.gz XEIOBAUIGUFMLE-AAEUAGOBSA-N 0 3 277.364 2.775 10 30 CFEEHN CC(C)CC[C@@H](C)NC(=O)c1ccc(C#CCN)cc1F ZINC000069235784 519681956 /nfs/dbraw/zinc/68/19/56/519681956.db2.gz KCKFFBSCAPOJNS-CYBMUJFWSA-N 0 3 290.382 2.690 10 30 CFEEHN CCCCC[C@H](C)NC(=O)c1cc(C#CCN)ccc1F ZINC000049105964 520307200 /nfs/dbraw/zinc/30/72/00/520307200.db2.gz YCBPDRXXIKJQQQ-ZDUSSCGKSA-N 0 3 290.382 2.835 10 30 CFEEHN CCN(CC)CCNC1(C#N)CCC(C(F)(F)F)CC1 ZINC000069375228 520688274 /nfs/dbraw/zinc/68/82/74/520688274.db2.gz XKDYRHQJACPEDV-UHFFFAOYSA-N 0 3 291.361 2.933 10 30 CFEEHN C#CCCOc1ccc(CN[C@H](C)[C@@H]2CCCO2)cc1 ZINC000113321178 526744518 /nfs/dbraw/zinc/74/45/18/526744518.db2.gz CCBWIQWVOYDOLY-PBHICJAKSA-N 0 3 273.376 2.746 10 30 CFEEHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000120565920 617730434 /nfs/dbraw/zinc/73/04/34/617730434.db2.gz RCIPHCAAAAXLRA-UONOGXRCSA-N 0 3 286.419 2.773 10 30 CFEEHN CCN(CC)CC#CCCC(=O)[C@@](C)(O)c1ccccc1 ZINC000013825151 346233294 /nfs/dbraw/zinc/23/32/94/346233294.db2.gz CIZRRARIHKVPFV-SFHVURJKSA-N 0 3 287.403 2.589 10 30 CFEEHN C=CCCCCCN(C)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000119613023 347802866 /nfs/dbraw/zinc/80/28/66/347802866.db2.gz GYFJNNPHGVHRFN-OAHLLOKOSA-N 0 3 281.444 2.859 10 30 CFEEHN C=C[C@H](NC)c1ccc(I)cc1 ZINC000130578365 347872598 /nfs/dbraw/zinc/87/25/98/347872598.db2.gz WBQIPRFUBWWWQS-JTQLQIEISA-N 0 3 273.117 2.738 10 30 CFEEHN CN(C)CCOc1cc(C(F)(F)F)ccc1C#N ZINC000150106607 347955117 /nfs/dbraw/zinc/95/51/17/347955117.db2.gz IBPGKBKXCPXUGN-UHFFFAOYSA-N 0 3 258.243 2.517 10 30 CFEEHN O=CCC1CCN(CCOCCc2ccccc2)CC1 ZINC000148126177 347950067 /nfs/dbraw/zinc/95/00/67/347950067.db2.gz JPIWNJCTUVLBPC-UHFFFAOYSA-N 0 3 275.392 2.547 10 30 CFEEHN CCN1CCC[C@@](C#N)(NCc2ccccc2)CC1 ZINC000086849212 179357718 /nfs/dbraw/zinc/35/77/18/179357718.db2.gz NCHVGKYUUHNSIT-MRXNPFEDSA-N 0 3 257.381 2.544 10 30 CFEEHN CCN(CCN(C)Cc1ccc(F)cc1)C[C@H](C)C#N ZINC000245407524 348253070 /nfs/dbraw/zinc/25/30/70/348253070.db2.gz BMBLZMWQZAZFKP-CQSZACIVSA-N 0 3 277.387 2.739 10 30 CFEEHN N#C[C@@H]1CCC[C@@H]1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000602607946 350943492 /nfs/dbraw/zinc/94/34/92/350943492.db2.gz NSYMQRWHUMVZJB-LXFSFDBISA-N 0 3 260.381 2.616 10 30 CFEEHN N#Cc1ccc([C@H]2CNCCN2Cc2ccccc2)cc1 ZINC000616636398 352394001 /nfs/dbraw/zinc/39/40/01/352394001.db2.gz MEZQNIKOWAIUNX-GOSISDBHSA-N 0 3 277.371 2.705 10 30 CFEEHN C=CCC[C@@H](O)CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181552571 189300661 /nfs/dbraw/zinc/30/06/61/189300661.db2.gz CWZDIZZKARXJIW-HUUCEWRRSA-N 0 3 278.352 2.963 10 30 CFEEHN COc1ccc([C@H](CNc2ccc(C#N)nc2)N(C)C)cc1 ZINC000301578241 201076816 /nfs/dbraw/zinc/07/68/16/201076816.db2.gz MZUSAHIQIWTQNL-KRWDZBQOSA-N 0 3 296.374 2.677 10 30 CFEEHN CCCN1CCCN(c2cc(C#N)ccc2C(C)=O)CC1 ZINC000302112014 201345027 /nfs/dbraw/zinc/34/50/27/201345027.db2.gz PVXDNVPYMUWHNJ-UHFFFAOYSA-N 0 3 285.391 2.683 10 30 CFEEHN CCN(CC)[C@@H](C)CNc1cc(C#N)ccc1C(C)=O ZINC000302134844 201358616 /nfs/dbraw/zinc/35/86/16/201358616.db2.gz ZMPFCUHNGQTLBC-LBPRGKRZSA-N 0 3 273.380 2.903 10 30 CFEEHN C=CCC[C@@H](CN1CCSCC1)Oc1ccc(C)nn1 ZINC000072421392 374252008 /nfs/dbraw/zinc/25/20/08/374252008.db2.gz VAGWQYLUKOGJKX-AWEZNQCLSA-N 0 3 293.436 2.547 10 30 CFEEHN C[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCS1 ZINC000131389371 377704724 /nfs/dbraw/zinc/70/47/24/377704724.db2.gz NMMDJKQXXGGBAG-AWEZNQCLSA-N 0 3 289.448 2.974 10 30 CFEEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C#N)cc1 ZINC000176255544 380202718 /nfs/dbraw/zinc/20/27/18/380202718.db2.gz NWOUYOYWPREYRR-OAHLLOKOSA-N 0 3 286.379 2.506 10 30 CFEEHN C[C@H](N)C#Cc1c(Cl)cccc1Br ZINC000306883412 382461477 /nfs/dbraw/zinc/46/14/77/382461477.db2.gz KCYQYFYALJOEON-ZETCQYMHSA-N 0 3 258.546 2.801 10 30 CFEEHN C/C=C\C(=O)c1ccc(OCCN2CCCC2)cc1 ZINC000575242682 382732367 /nfs/dbraw/zinc/73/23/67/382732367.db2.gz DVYLYGZYGRLKGW-DJWKRKHSSA-N 0 3 259.349 2.920 10 30 CFEEHN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000245648658 383018746 /nfs/dbraw/zinc/01/87/46/383018746.db2.gz GOGXXQXEIQQAEL-ZIAGYGMSSA-N 0 3 267.417 2.515 10 30 CFEEHN N#Cc1ccc(CN2CC[C@]3(O)CCCC[C@H]3C2)cc1F ZINC000248824286 383294084 /nfs/dbraw/zinc/29/40/84/383294084.db2.gz GLVBWMNZWDQWSG-DOTOQJQBSA-N 0 3 288.366 2.824 10 30 CFEEHN Cc1cc(C#N)ccc1CN1CCC(Cn2cccn2)CC1 ZINC000186216220 393541409 /nfs/dbraw/zinc/54/14/09/393541409.db2.gz IITJNELRPXQYBX-UHFFFAOYSA-N 0 3 294.402 2.975 10 30 CFEEHN CCO[C@H]1C[C@H](N(C)CCCC#N)C12CCCC2 ZINC000121163888 393950877 /nfs/dbraw/zinc/95/08/77/393950877.db2.gz SZJGZEOXFYKKQN-KBPBESRZSA-N 0 3 250.386 2.960 10 30 CFEEHN N#Cc1cc(F)ccc1NC(=N)NCc1ccccc1 ZINC000306230254 397640072 /nfs/dbraw/zinc/64/00/72/397640072.db2.gz KMHAZXUUDXHQBA-UHFFFAOYSA-N 0 3 268.295 2.834 10 30 CFEEHN CN(C)C[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000020129382 171016905 /nfs/dbraw/zinc/01/69/05/171016905.db2.gz OPOHOVOOFRTIDT-GOSISDBHSA-N 0 3 279.387 2.951 10 30 CFEEHN CN(C)CCN[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000020177166 171042800 /nfs/dbraw/zinc/04/28/00/171042800.db2.gz ILTDIYFSEZZGID-NSHDSACASA-N 0 3 272.179 2.709 10 30 CFEEHN CC[C@H](C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037386234 173169205 /nfs/dbraw/zinc/16/92/05/173169205.db2.gz FGEWEDZFNUKHGS-VIFPVBQESA-N 0 3 265.744 2.538 10 30 CFEEHN C[C@H](C#N)Oc1c(Br)cccc1CNC1CC1 ZINC000043513849 175061766 /nfs/dbraw/zinc/06/17/66/175061766.db2.gz CKNDQBUVPYFAQJ-SECBINFHSA-N 0 3 295.180 2.992 10 30 CFEEHN CC(C)C[C@H](C)N(C)C(=O)c1ccc(C#CCN)c(F)c1 ZINC000043583160 175070358 /nfs/dbraw/zinc/07/03/58/175070358.db2.gz JTCRUGGNXYKMDU-ZDUSSCGKSA-N 0 3 290.382 2.643 10 30 CFEEHN CCc1ccc(C(=O)NCc2ccc(C#CCN)cc2)s1 ZINC000043640341 175084657 /nfs/dbraw/zinc/08/46/57/175084657.db2.gz OWHMYSLISFWXEX-UHFFFAOYSA-N 0 3 298.411 2.551 10 30 CFEEHN CC[C@H]1CCCN(Cc2ccc(C#CCO)s2)C1 ZINC000043677847 175089061 /nfs/dbraw/zinc/08/90/61/175089061.db2.gz ARSQBCKTPNFNLN-ZDUSSCGKSA-N 0 3 263.406 2.714 10 30 CFEEHN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(C#CCO)s1 ZINC000043679263 175089639 /nfs/dbraw/zinc/08/96/39/175089639.db2.gz QAUOKEYJRBHYBJ-CHWSQXEVSA-N 0 3 263.406 2.855 10 30 CFEEHN CC[C@H]1CCCCN1Cc1ccc(C#CCO)s1 ZINC000043679425 175090703 /nfs/dbraw/zinc/09/07/03/175090703.db2.gz OMHPFXHXQINFQB-ZDUSSCGKSA-N 0 3 263.406 2.856 10 30 CFEEHN CC(C)N(Cc1cc(C#CCN)cs1)CC(F)(F)F ZINC000043689136 175096220 /nfs/dbraw/zinc/09/62/20/175096220.db2.gz HBPRKXMETRDIGI-UHFFFAOYSA-N 0 3 290.354 2.831 10 30 CFEEHN NCC#Cc1csc(COCc2ccccc2)c1 ZINC000043689225 175096248 /nfs/dbraw/zinc/09/62/48/175096248.db2.gz FKGYZYJOWCQLTE-UHFFFAOYSA-N 0 3 257.358 2.775 10 30 CFEEHN C=CCNC(=O)[C@@H](C)NCc1ccc(C(C)C)cc1 ZINC000044387934 175170139 /nfs/dbraw/zinc/17/01/39/175170139.db2.gz LYHYYNLGVRJVDL-CYBMUJFWSA-N 0 3 260.381 2.590 10 30 CFEEHN N#CC(Cc1ccccc1)C(=O)N1CCCCCC1 ZINC000044808940 175257319 /nfs/dbraw/zinc/25/73/19/175257319.db2.gz WPRFKENYXOHYBS-HNNXBMFYSA-N 0 3 256.349 2.771 10 30 CFEEHN Clc1ccc(C#CCN2CCN3CCCC[C@@H]3C2)cc1 ZINC000177255163 261340910 /nfs/dbraw/zinc/34/09/10/261340910.db2.gz VRIVDNYXRKIDFH-QGZVFWFLSA-N 0 3 288.822 2.862 10 30 CFEEHN CC[C@H]1CN2CCC[C@@H]2CN1c1snc(Cl)c1C#N ZINC000271323569 281196056 /nfs/dbraw/zinc/19/60/56/281196056.db2.gz KNPSKYQGIYVELA-VHSXEESVSA-N 0 3 296.827 2.731 10 30 CFEEHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1 ZINC000333948704 303167119 /nfs/dbraw/zinc/16/71/19/303167119.db2.gz WOKDRLZYBRACTF-ZDRJDWQYSA-N 0 3 297.402 2.678 10 30 CFEEHN N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000217456852 333121023 /nfs/dbraw/zinc/12/10/23/333121023.db2.gz LXRNXOKAPUWRQT-KSZLIROESA-N 0 3 283.419 2.933 10 30 CFEEHN C=CCCCCCN1CCN(CCOCC)[C@@H](C)C1 ZINC000193336368 333248219 /nfs/dbraw/zinc/24/82/19/333248219.db2.gz XCEZSEURFZQIQP-INIZCTEOSA-N 0 3 268.445 2.775 10 30 CFEEHN CCCCCOCc1ccc(OC)c(C#CCN)c1 ZINC000049611070 520245886 /nfs/dbraw/zinc/24/58/86/520245886.db2.gz RZIMQYLAZWVACR-UHFFFAOYSA-N 0 3 261.365 2.712 10 30 CFEEHN C=CCSc1ccccc1NC(=O)[C@@H](C)NC ZINC000052395673 519079075 /nfs/dbraw/zinc/07/90/75/519079075.db2.gz WGZHZIUDFNBKDS-SNVBAGLBSA-N 0 3 250.367 2.511 10 30 CFEEHN CC(C)C[C@H]1CSC(N[C@H](CN(C)C)C(C)C)=N1 ZINC000049222055 519418190 /nfs/dbraw/zinc/41/81/90/519418190.db2.gz MMDXVSRXGOQOGX-QWHCGFSZSA-N 0 3 271.474 2.680 10 30 CFEEHN CC(C)CC[C@@H](C)NC(=O)c1ccc(C#CCN)s1 ZINC000069235786 519681879 /nfs/dbraw/zinc/68/18/79/519681879.db2.gz YDGOKAPHMTZAHE-GFCCVEGCSA-N 0 3 278.421 2.613 10 30 CFEEHN CCCC1CCN(C(=O)c2cccc(C#CCN)c2)CC1 ZINC000050907102 519900268 /nfs/dbraw/zinc/90/02/68/519900268.db2.gz XTKOQXJUTFNUFK-UHFFFAOYSA-N 0 3 284.403 2.649 10 30 CFEEHN CCCCC[C@@H](C)NC(=O)c1ccc(F)cc1C#CCN ZINC000049105950 520286942 /nfs/dbraw/zinc/28/69/42/520286942.db2.gz IMTYETPTCCBQJU-CYBMUJFWSA-N 0 3 290.382 2.835 10 30 CFEEHN CC[C@H](NC(=O)c1cccc(C#CCN)c1)c1cccs1 ZINC000049533325 522538082 /nfs/dbraw/zinc/53/80/82/522538082.db2.gz GSAGFHBZMSIEPF-HNNXBMFYSA-N 0 3 298.411 2.939 10 30 CFEEHN CC[C@@H]1CCCCN1Cc1ccc(F)cc1C#CCO ZINC000049617503 523178525 /nfs/dbraw/zinc/17/85/25/523178525.db2.gz IVDHOMRLXHJQLV-QGZVFWFLSA-N 0 3 275.367 2.934 10 30 CFEEHN CN(Cc1ccccc1)Cc1cccc(C#CCO)c1 ZINC000049616321 523345965 /nfs/dbraw/zinc/34/59/65/523345965.db2.gz XUUQPCIVUWIEFK-UHFFFAOYSA-N 0 3 265.356 2.662 10 30 CFEEHN CN(Cc1ccccc1)Cc1ccc(F)cc1C#CCN ZINC000049608527 523348400 /nfs/dbraw/zinc/34/84/00/523348400.db2.gz SYQQBSUKVHVOAI-UHFFFAOYSA-N 0 3 282.362 2.768 10 30 CFEEHN COc1ccc(C#CCCO)cc1CN(C)[C@@H](C)C(C)C ZINC000049618555 523509937 /nfs/dbraw/zinc/50/99/37/523509937.db2.gz RDKMJUUELNAJEU-HNNXBMFYSA-N 0 3 289.419 2.905 10 30 CFEEHN CN(c1ccc(C#N)c(Cl)c1)C1CCN(C)CC1 ZINC000061850731 523633777 /nfs/dbraw/zinc/63/37/77/523633777.db2.gz DXFUZDNDEDVUFQ-UHFFFAOYSA-N 0 3 263.772 2.742 10 30 CFEEHN COc1ccc(COCc2ccccc2C#CCN)cc1 ZINC000049610857 524117818 /nfs/dbraw/zinc/11/78/18/524117818.db2.gz OMKHUTXTJJAJHS-UHFFFAOYSA-N 0 3 281.355 2.722 10 30 CFEEHN Cc1ccc(CN(C)Cc2cccc(C#CCN)c2)o1 ZINC000049609112 524394177 /nfs/dbraw/zinc/39/41/77/524394177.db2.gz CKKCVJCHVVEWDV-UHFFFAOYSA-N 0 3 268.360 2.530 10 30 CFEEHN C[C@H]1C[C@H](C)CN(Cc2ccc(F)c(C#CCO)c2)C1 ZINC000049616664 524884270 /nfs/dbraw/zinc/88/42/70/524884270.db2.gz KZDPDMQFNHRKSP-KBPBESRZSA-N 0 3 275.367 2.647 10 30 CFEEHN Cc1ccc(OCc2ccccc2C#CCN)cc1 ZINC000049610637 525445318 /nfs/dbraw/zinc/44/53/18/525445318.db2.gz YZBBLGQRWBOHHH-UHFFFAOYSA-N 0 3 251.329 2.884 10 30 CFEEHN Cc1ccsc1C(=O)N[C@H](C)c1ccc(C#CCN)cc1 ZINC000049586778 525825963 /nfs/dbraw/zinc/82/59/63/525825963.db2.gz SUGOUHKQAQXWKH-CYBMUJFWSA-N 0 3 298.411 2.858 10 30 CFEEHN N#Cc1ccc(NCCCNCc2cccnc2)c(F)c1 ZINC000063197186 526661822 /nfs/dbraw/zinc/66/18/22/526661822.db2.gz VSIJZZRNBVVROT-UHFFFAOYSA-N 0 3 284.338 2.684 10 30 CFEEHN NCC#Cc1c(OC2CCOCC2)ccc2ccccc21 ZINC000069310451 527147166 /nfs/dbraw/zinc/14/71/66/527147166.db2.gz UBICYJSHTCSPJA-UHFFFAOYSA-N 0 3 281.355 2.708 10 30 CFEEHN Cc1ncsc1CCOCc1ccc(C#CCN)cc1 ZINC000049610595 527490079 /nfs/dbraw/zinc/49/00/79/527490079.db2.gz VRGUSVNRFFTYMB-UHFFFAOYSA-N 0 3 286.400 2.521 10 30 CFEEHN OCC#Cc1cc(F)ccc1CN1CCCCCC1 ZINC000049616148 527518737 /nfs/dbraw/zinc/51/87/37/527518737.db2.gz GDNIZCZZCSTFHK-UHFFFAOYSA-N 0 3 261.340 2.546 10 30 CFEEHN CC(C)(C)OC(=O)N1CCC(N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000061891992 623240265 /nfs/dbraw/zinc/24/02/65/623240265.db2.gz WLXIAOVHEKVFNB-GXTWGEPZSA-N 0 3 293.411 2.668 10 30 CFEEHN C=C(C)[C@@H](N)c1cccc(I)c1 ZINC000131273961 347877461 /nfs/dbraw/zinc/87/74/61/347877461.db2.gz JEAGKLICSULVHY-SNVBAGLBSA-N 0 3 273.117 2.867 10 30 CFEEHN CC#CCN[C@H](C)c1ccc(I)cc1 ZINC000162008137 348028519 /nfs/dbraw/zinc/02/85/19/348028519.db2.gz QZBDGMWLSGKMMD-SNVBAGLBSA-N 0 3 299.155 2.965 10 30 CFEEHN C=C(C)C[C@@H](N)c1ccc(OC)c(OC)c1OC ZINC000229738986 348202834 /nfs/dbraw/zinc/20/28/34/348202834.db2.gz NFBSXOOREZRMMF-LLVKDONJSA-N 0 3 251.326 2.678 10 30 CFEEHN C#C[C@H](N)c1cc(Br)cc(Br)c1 ZINC000236290318 348232759 /nfs/dbraw/zinc/23/27/59/348232759.db2.gz PJFDSDBSIQRROK-VIFPVBQESA-N 0 3 288.970 2.845 10 30 CFEEHN C#C[C@H](N)c1ccc(Br)cc1Br ZINC000236290436 348233114 /nfs/dbraw/zinc/23/31/14/348233114.db2.gz DXEXUHABFLYIDH-VIFPVBQESA-N 0 3 288.970 2.845 10 30 CFEEHN C#CC[C@@H](NC)c1sccc1I ZINC000306540419 348388762 /nfs/dbraw/zinc/38/87/62/348388762.db2.gz WGWPYDUFBWCIJO-MRVPVSSYSA-N 0 3 291.157 2.637 10 30 CFEEHN C[C@H]1CC(C=O)C[C@H](C)N1CCOc1ccccc1 ZINC000584883065 348726648 /nfs/dbraw/zinc/72/66/48/348726648.db2.gz GEETVWRSCUSPFZ-KBPBESRZSA-N 0 3 261.365 2.753 10 30 CFEEHN Cc1cnn([C@H]2CCCN(Cc3ccc(C#N)cc3)C2)c1 ZINC000105899898 186087574 /nfs/dbraw/zinc/08/75/74/186087574.db2.gz CTRISILTLVHBFK-KRWDZBQOSA-N 0 3 280.375 2.900 10 30 CFEEHN Cc1nccn1C[C@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000178319796 189106661 /nfs/dbraw/zinc/10/66/61/189106661.db2.gz USPAQYGLUAKIOW-QGZVFWFLSA-N 0 3 280.375 2.728 10 30 CFEEHN CC(C)(C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000024165436 372272286 /nfs/dbraw/zinc/27/22/86/372272286.db2.gz IIHATFCIGPSQSM-UHFFFAOYSA-N 0 3 265.744 2.538 10 30 CFEEHN COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@@H]1C=C(C)C(=O)C3 ZINC000026717589 372326787 /nfs/dbraw/zinc/32/67/87/372326787.db2.gz XZNGKMHNSCKNRJ-YQVWRLOYSA-N 0 3 297.398 2.729 10 30 CFEEHN C=CCC[C@@H](O)CN(CCOC)Cc1ccc(F)cc1 ZINC000036030905 372553615 /nfs/dbraw/zinc/55/36/15/372553615.db2.gz YKNRTKJJILIOJY-MRXNPFEDSA-N 0 3 281.371 2.601 10 30 CFEEHN C#CCOc1cccc(CNC[C@H](O)c2ccccc2)c1 ZINC000045945849 373039330 /nfs/dbraw/zinc/03/93/30/373039330.db2.gz OOAPCULLTKHXGY-SFHVURJKSA-N 0 3 281.355 2.522 10 30 CFEEHN C[C@@H](c1ccc(C#N)cc1)N1CCN2CCCC[C@@H]2C1 ZINC000177769303 380377914 /nfs/dbraw/zinc/37/79/14/380377914.db2.gz OKPGMVBJMANTSJ-WMLDXEAASA-N 0 3 269.392 2.789 10 30 CFEEHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCCN(CC)C1 ZINC000180898773 380710307 /nfs/dbraw/zinc/71/03/07/380710307.db2.gz GOGXXQXEIQQAEL-KBPBESRZSA-N 0 3 267.417 2.515 10 30 CFEEHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccccc1C ZINC000181539401 380819858 /nfs/dbraw/zinc/81/98/58/380819858.db2.gz JWILNCJUVVGVOV-ZFWWWQNUSA-N 0 3 287.407 2.654 10 30 CFEEHN C=CCNC(=O)CN[C@@H]1c2ccccc2CCC1(C)C ZINC000183129416 381221305 /nfs/dbraw/zinc/22/13/05/381221305.db2.gz AOLIXRJMAMYVLD-MRXNPFEDSA-N 0 3 272.392 2.592 10 30 CFEEHN C=CCC[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000189111516 382546954 /nfs/dbraw/zinc/54/69/54/382546954.db2.gz PURJBRWZYWVKMF-IAGOWNOFSA-N 0 3 286.419 2.899 10 30 CFEEHN CN(C)C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000248816814 383293016 /nfs/dbraw/zinc/29/30/16/383293016.db2.gz LALMHGFCUTUIHK-PVAVHDDUSA-N 0 3 271.408 2.961 10 30 CFEEHN C=CC[C@@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000249597165 383352341 /nfs/dbraw/zinc/35/23/41/383352341.db2.gz XDWZWNBWJKJNLX-DLBZAZTESA-N 0 3 284.403 2.653 10 30 CFEEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccc(C#N)cc1F ZINC000252661995 383424570 /nfs/dbraw/zinc/42/45/70/383424570.db2.gz SODRMZKPCMAXTP-CJNGLKHVSA-N 0 3 287.382 2.756 10 30 CFEEHN Cc1ccc([C@H](C)NCCC(=O)N(C)CCC#N)cc1F ZINC000181370901 393493902 /nfs/dbraw/zinc/49/39/02/393493902.db2.gz GAVDFLHYYLZPDD-ZDUSSCGKSA-N 0 3 291.370 2.547 10 30 CFEEHN C[C@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000183137727 393517437 /nfs/dbraw/zinc/51/74/37/393517437.db2.gz CPXWOSSPJYXRMV-SWLSCSKDSA-N 0 3 263.768 2.849 10 30 CFEEHN C[C@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000183137692 393517624 /nfs/dbraw/zinc/51/76/24/393517624.db2.gz CPXWOSSPJYXRMV-WFASDCNBSA-N 0 3 263.768 2.849 10 30 CFEEHN CC(C)N1C[C@@H](C)[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000246846549 393887432 /nfs/dbraw/zinc/88/74/32/393887432.db2.gz FDYVAWNALYDUPU-ZWNOBZJWSA-N 0 3 278.787 2.747 10 30 CFEEHN CC(C)[C@@H](N)C#Cc1c[nH]c2cncc(Br)c12 ZINC000725246402 543105769 /nfs/dbraw/zinc/10/57/69/543105769.db2.gz ZDUHFVWAAUUMBT-NSHDSACASA-N 0 3 292.180 2.660 10 30 CFEEHN N#Cc1ccccc1NC(=N)NCc1ccccc1 ZINC000306523246 397641150 /nfs/dbraw/zinc/64/11/50/397641150.db2.gz NJGOZPUOULWQPA-UHFFFAOYSA-N 0 3 250.305 2.695 10 30 CFEEHN CC(C)(C)CC(=O)Nc1sc2c(c1C#N)CCNC2 ZINC000035248153 172078876 /nfs/dbraw/zinc/07/88/76/172078876.db2.gz APLQJUMLYZNVHO-UHFFFAOYSA-N 0 3 277.393 2.640 10 30 CFEEHN C#CCN1CCC(Nc2ccc(OC)c(Cl)c2)CC1 ZINC000037195702 173024549 /nfs/dbraw/zinc/02/45/49/173024549.db2.gz KNFYIXQALWYEAF-UHFFFAOYSA-N 0 3 278.783 2.858 10 30 CFEEHN CN1CCC[C@@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000040673488 174372463 /nfs/dbraw/zinc/37/24/63/174372463.db2.gz KGXGUHJVFGNXCG-CYBMUJFWSA-N 0 3 266.348 2.613 10 30 CFEEHN CCN(CCC#N)[C@@H](CN)c1ccc(Br)cc1 ZINC000042955172 174924210 /nfs/dbraw/zinc/92/42/10/174924210.db2.gz BDYCRVQFRIJXSD-ZDUSSCGKSA-N 0 3 296.212 2.684 10 30 CFEEHN C[C@@H](C#N)CN(C)[C@@H](CN)c1ccccc1Br ZINC000043093269 174964305 /nfs/dbraw/zinc/96/43/05/174964305.db2.gz ASWLIUCYRYFFPI-GWCFXTLKSA-N 0 3 296.212 2.540 10 30 CFEEHN Cc1ccc([C@H](CN)Oc2cccc(F)c2C#N)o1 ZINC000043366966 175027264 /nfs/dbraw/zinc/02/72/64/175027264.db2.gz VLVKMYWEONQXJD-AWEZNQCLSA-N 0 3 260.268 2.678 10 30 CFEEHN COc1ccccc1COc1ccc(F)cc1C#CCN ZINC000043457894 175050716 /nfs/dbraw/zinc/05/07/16/175050716.db2.gz NIOHKWZIBYWKJO-UHFFFAOYSA-N 0 3 285.318 2.724 10 30 CFEEHN NCC#Cc1ccccc1OCc1cc(F)ccc1F ZINC000043459908 175050761 /nfs/dbraw/zinc/05/07/61/175050761.db2.gz CSNUTCBWHOGZPO-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN CCNCc1cc(Br)ccc1O[C@@H](C)C#N ZINC000043513427 175061404 /nfs/dbraw/zinc/06/14/04/175061404.db2.gz AOIGWIGMRVPNFQ-VIFPVBQESA-N 0 3 283.169 2.849 10 30 CFEEHN CC[C@H](C#N)Oc1cc2c(cc1CNC(C)C)OCO2 ZINC000043539025 175063916 /nfs/dbraw/zinc/06/39/16/175063916.db2.gz VYRBMTOFKWMIIF-GFCCVEGCSA-N 0 3 276.336 2.594 10 30 CFEEHN CC(C)CCN(C)Cc1ccc(C#CCCO)s1 ZINC000043678570 175088844 /nfs/dbraw/zinc/08/88/44/175088844.db2.gz KCAUUUXORJHPDB-UHFFFAOYSA-N 0 3 265.422 2.960 10 30 CFEEHN CCN(Cc1sccc1C#CCCO)C(C)C ZINC000043679422 175090328 /nfs/dbraw/zinc/09/03/28/175090328.db2.gz YATOLMDEULWFOS-UHFFFAOYSA-N 0 3 251.395 2.712 10 30 CFEEHN Cc1ccccc1CN(C)Cc1sccc1C#CCN ZINC000043683948 175091953 /nfs/dbraw/zinc/09/19/53/175091953.db2.gz SCGRWVXBSGGDQK-UHFFFAOYSA-N 0 3 284.428 2.999 10 30 CFEEHN NCC#Cc1ccsc1CSc1ccccn1 ZINC000043685621 175093674 /nfs/dbraw/zinc/09/36/74/175093674.db2.gz UFCQMVSADQNGOT-UHFFFAOYSA-N 0 3 260.387 2.746 10 30 CFEEHN Cc1ccccc1OCc1ccc(C#CCN)s1 ZINC000043684819 175093703 /nfs/dbraw/zinc/09/37/03/175093703.db2.gz OPELTURDWRAHAE-UHFFFAOYSA-N 0 3 257.358 2.946 10 30 CFEEHN NCC#Cc1ccc(COc2ccc(F)cc2)s1 ZINC000043684826 175093781 /nfs/dbraw/zinc/09/37/81/175093781.db2.gz GWDFDGIVMVHGKO-UHFFFAOYSA-N 0 3 261.321 2.776 10 30 CFEEHN NCC#Cc1csc(COc2ccc(F)cc2)c1 ZINC000043689258 175096127 /nfs/dbraw/zinc/09/61/27/175096127.db2.gz BGUGHQNONJEXOL-UHFFFAOYSA-N 0 3 261.321 2.776 10 30 CFEEHN C=CCOc1ccccc1CNC[C@H]1CCCCN1C ZINC000044561051 175205090 /nfs/dbraw/zinc/20/50/90/175205090.db2.gz UBEPXCZNWGZTBR-MRXNPFEDSA-N 0 3 274.408 2.825 10 30 CFEEHN C=CC[C@H](C(=O)N[C@H]1CCCN(CC)C1)c1ccccc1 ZINC000189201667 264277997 /nfs/dbraw/zinc/27/79/97/264277997.db2.gz LJHJGJHJAWAATA-IRXDYDNUSA-N 0 3 286.419 2.947 10 30 CFEEHN COc1ccc2c(c1)C[C@H](N[C@@H]1CCC[C@@H]1C#N)CC2 ZINC000129548019 327156420 /nfs/dbraw/zinc/15/64/20/327156420.db2.gz AWZAZZVSLJYBJP-FRFSOERESA-N 0 3 270.376 2.834 10 30 CFEEHN C=C(C)C[C@H](C)C(=O)N(C)C[C@H]1CCCN1CC ZINC000185755478 333148149 /nfs/dbraw/zinc/14/81/49/333148149.db2.gz QGVVQDIDMFTRSC-UONOGXRCSA-N 0 3 252.402 2.531 10 30 CFEEHN N#C[C@H]1CCC[C@H]1NC1CCN(c2ccccc2)CC1 ZINC000224376786 333220030 /nfs/dbraw/zinc/22/00/30/333220030.db2.gz PSHRWJBSWHPMAW-RHSMWYFYSA-N 0 3 269.392 2.937 10 30 CFEEHN C=C(C)CN(CC)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000079495962 334155707 /nfs/dbraw/zinc/15/57/07/334155707.db2.gz KQTIRYLQHYZVRM-CQSZACIVSA-N 0 3 269.433 2.570 10 30 CFEEHN COc1ccccc1C[C@H](C)N[C@H]1CCC[C@H]1C#N ZINC000250990600 334354272 /nfs/dbraw/zinc/35/42/72/334354272.db2.gz LUSQMQDNJKFSIP-QEJZJMRPSA-N 0 3 258.365 2.908 10 30 CFEEHN C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCC[C@H]1C#N ZINC000251244411 334358839 /nfs/dbraw/zinc/35/88/39/334358839.db2.gz STLODHISJGSJCT-IVMMDQJWSA-N 0 3 258.365 2.995 10 30 CFEEHN CCCCCN(C)Cc1ccc(F)cc1C#CCO ZINC000049617976 520153153 /nfs/dbraw/zinc/15/31/53/520153153.db2.gz YLOJQPDMPAYANJ-UHFFFAOYSA-N 0 3 263.356 2.792 10 30 CFEEHN CCC(C)(C)OCCOc1cccc(C#CCN)c1 ZINC000049610953 521359216 /nfs/dbraw/zinc/35/92/16/521359216.db2.gz UMLWIFJRPWPVMO-UHFFFAOYSA-N 0 3 261.365 2.581 10 30 CFEEHN C=CCN(CC=C)Cc1cc(CNCC(C)C)no1 ZINC000052376518 518770464 /nfs/dbraw/zinc/77/04/64/518770464.db2.gz XCXAQBTZJGPKLY-UHFFFAOYSA-N 0 3 263.385 2.594 10 30 CFEEHN CC(C)CCC[C@H](C)NC(=O)c1cccc(C#CCN)c1 ZINC000049148582 519648069 /nfs/dbraw/zinc/64/80/69/519648069.db2.gz KCOOQEBAVNTEOX-HNNXBMFYSA-N 0 3 286.419 2.941 10 30 CFEEHN CC(C)CCC[C@H](C)NC(=O)c1ccccc1C#CCN ZINC000049148580 519648163 /nfs/dbraw/zinc/64/81/63/519648163.db2.gz SHCZJRUEZMHZGU-HNNXBMFYSA-N 0 3 286.419 2.941 10 30 CFEEHN CC(C)CC[C@H](C)NC(=O)c1ccc(F)cc1C#CCN ZINC000069235775 519690846 /nfs/dbraw/zinc/69/08/46/519690846.db2.gz NFMNYXWUZTXTBZ-ZDUSSCGKSA-N 0 3 290.382 2.690 10 30 CFEEHN CCC1CCC(NC(=O)c2cccc(C#CCN)c2)CC1 ZINC000049124818 519856547 /nfs/dbraw/zinc/85/65/47/519856547.db2.gz AJXGAIDMTBATHM-UHFFFAOYSA-N 0 3 284.403 2.695 10 30 CFEEHN CCCCC[C@@H](C)NC(=O)c1ccc(C#CCN)cc1F ZINC000049105967 520283742 /nfs/dbraw/zinc/28/37/42/520283742.db2.gz ZTDYATHDZKBJKW-CYBMUJFWSA-N 0 3 290.382 2.835 10 30 CFEEHN CCCCN(C)Cc1ccc(C#CCCO)cc1F ZINC000049616381 520420003 /nfs/dbraw/zinc/42/00/03/520420003.db2.gz ZFWURQOEZAPQGI-UHFFFAOYSA-N 0 3 263.356 2.792 10 30 CFEEHN CCC[C@@H](C)C(=O)N[C@H](C)c1cccc(C#CCN)c1 ZINC000049587106 520615693 /nfs/dbraw/zinc/61/56/93/520615693.db2.gz TULQGULYFKPFAK-ZIAGYGMSSA-N 0 3 272.392 2.610 10 30 CFEEHN CCN(CC1CC1)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000069238189 520965007 /nfs/dbraw/zinc/96/50/07/520965007.db2.gz SZQNGVAENGNLIR-LBPRGKRZSA-N 0 3 271.364 2.617 10 30 CFEEHN CN(C)c1cccc(OCc2cccc(C#CCN)c2)c1 ZINC000049611153 522283543 /nfs/dbraw/zinc/28/35/43/522283543.db2.gz WVQREZHGOPIBSR-UHFFFAOYSA-N 0 3 280.371 2.642 10 30 CFEEHN CN(Cc1cccs1)Cc1ccc(C#CCN)cc1 ZINC000049609091 523446590 /nfs/dbraw/zinc/44/65/90/523446590.db2.gz PPFXQLBLFYYMHO-UHFFFAOYSA-N 0 3 270.401 2.690 10 30 CFEEHN COc1ccc(C)cc1COc1ccc(C#CCN)cc1 ZINC000050707074 523814711 /nfs/dbraw/zinc/81/47/11/523814711.db2.gz IDMGMPZBFBXBCY-UHFFFAOYSA-N 0 3 281.355 2.893 10 30 CFEEHN C[C@@H]1CCCN(Cc2ccc(C#CCO)s2)[C@@H]1C ZINC000050566713 524232953 /nfs/dbraw/zinc/23/29/53/524232953.db2.gz PSNHUJPLVGONOR-CHWSQXEVSA-N 0 3 263.406 2.712 10 30 CFEEHN C[C@@H]1CCCN(Cc2ccc(F)c(C#CCCO)c2)C1 ZINC000049616102 524235079 /nfs/dbraw/zinc/23/50/79/524235079.db2.gz WGKYNMNAKNUEFS-CQSZACIVSA-N 0 3 275.367 2.792 10 30 CFEEHN C[C@@H]1CCC[C@@H](OCCOc2cccc(C#CCN)c2)C1 ZINC000049610996 524318956 /nfs/dbraw/zinc/31/89/56/524318956.db2.gz VHSYVQPLYRLZDG-NVXWUHKLSA-N 0 3 287.403 2.971 10 30 CFEEHN C[C@H](NC(=O)C1CCCCC1)c1ccc(C#CCN)cc1 ZINC000049586737 524912465 /nfs/dbraw/zinc/91/24/65/524912465.db2.gz HCNLDMWTLIQTBR-AWEZNQCLSA-N 0 3 284.403 2.754 10 30 CFEEHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(C#CCO)cc2F)C1 ZINC000049616649 525210423 /nfs/dbraw/zinc/21/04/23/525210423.db2.gz MTNISZMNIZRUEF-ZIAGYGMSSA-N 0 3 275.367 2.647 10 30 CFEEHN Cc1ccc(NC(=O)c2cncc(C#CCN)c2)c(Cl)c1 ZINC000049629523 525254045 /nfs/dbraw/zinc/25/40/45/525254045.db2.gz ZYZVDIIBRSOXNG-UHFFFAOYSA-N 0 3 299.761 2.606 10 30 CFEEHN Cc1ccccc1OCCOc1ccc(C#CCN)cc1 ZINC000049610503 525305023 /nfs/dbraw/zinc/30/50/23/525305023.db2.gz CUVCAEJTWJNYGN-UHFFFAOYSA-N 0 3 281.355 2.763 10 30 CFEEHN Cc1ccc([C@@H](C)NC(=O)c2cccc(C#CCN)c2)s1 ZINC000049189290 525717496 /nfs/dbraw/zinc/71/74/96/525717496.db2.gz RLMWEWYHYRQDGK-CYBMUJFWSA-N 0 3 298.411 2.858 10 30 CFEEHN Cc1ccoc1C(=O)Nc1cc(C#CCN)ccc1Cl ZINC000061692006 525788941 /nfs/dbraw/zinc/78/89/41/525788941.db2.gz ZBINNBQPMVBNSD-UHFFFAOYSA-N 0 3 288.734 2.804 10 30 CFEEHN C[C@H]1CCCCN1Cc1ccc(F)cc1C#CCO ZINC000049615746 526251251 /nfs/dbraw/zinc/25/12/51/526251251.db2.gz ZMULOCHAGDMTIG-ZDUSSCGKSA-N 0 3 261.340 2.544 10 30 CFEEHN C#CCCOc1ccc(CN[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000113321176 526744504 /nfs/dbraw/zinc/74/45/04/526744504.db2.gz CCBWIQWVOYDOLY-YOEHRIQHSA-N 0 3 273.376 2.746 10 30 CFEEHN Cc1occc1CN(C)Cc1ccccc1C#CCN ZINC000049609917 526825780 /nfs/dbraw/zinc/82/57/80/526825780.db2.gz KYIWYLBGCGOLCT-UHFFFAOYSA-N 0 3 268.360 2.530 10 30 CFEEHN NCC#Cc1ccccc1CNC(=O)c1ccccc1Cl ZINC000049586381 527155368 /nfs/dbraw/zinc/15/53/68/527155368.db2.gz HEHMEMJNIORFEP-UHFFFAOYSA-N 0 3 298.773 2.580 10 30 CFEEHN OCC#Cc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000049616474 527519783 /nfs/dbraw/zinc/51/97/83/527519783.db2.gz OWIWROOKGNRIFM-UHFFFAOYSA-N 0 3 277.367 2.589 10 30 CFEEHN C=CCN(CC=C)C[C@@H](O)COc1cccc2c1CCC2 ZINC000033856427 346312863 /nfs/dbraw/zinc/31/28/63/346312863.db2.gz DOROOFWHTQYTAZ-MRXNPFEDSA-N 0 3 287.403 2.589 10 30 CFEEHN CC(C#N)C(=O)c1cc(F)ccc1Br ZINC000036935197 346324369 /nfs/dbraw/zinc/32/43/69/346324369.db2.gz BQGIWFWPRAAKJA-LURJTMIESA-N 0 3 256.074 2.931 10 30 CFEEHN N#C[C@@H]1CCCC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000054826208 346577098 /nfs/dbraw/zinc/57/70/98/346577098.db2.gz GOHFARVKQYHXJX-ZFWWWQNUSA-N 0 3 273.336 2.809 10 30 CFEEHN C=C[C@@H](CC(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000128721689 187386108 /nfs/dbraw/zinc/38/61/08/187386108.db2.gz FNAJFHSXMCRFBB-HOCLYGCPSA-N 0 3 272.392 2.509 10 30 CFEEHN C[C@@]1(/[N+]([O-])=C/c2ccc(F)cc2)CCCCC1=O ZINC000225398651 348177595 /nfs/dbraw/zinc/17/75/95/348177595.db2.gz KLQVEFZESSHFFJ-KWZJRMENSA-N 0 3 250.293 2.548 10 30 CFEEHN CCNCC#Cc1cccc(Br)c1F ZINC000233513294 348217370 /nfs/dbraw/zinc/21/73/70/348217370.db2.gz IUWQYTLUNTZDQD-UHFFFAOYSA-N 0 3 256.118 2.549 10 30 CFEEHN CC(C)[C@@H](N)C#Cc1cscc1Br ZINC000300998592 348370864 /nfs/dbraw/zinc/37/08/64/348370864.db2.gz WSNXHJZKKRKLAX-JTQLQIEISA-N 0 3 258.184 2.845 10 30 CFEEHN N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309847920 348408202 /nfs/dbraw/zinc/40/82/02/348408202.db2.gz YVDLBFSGDJCBBP-KSZLIROESA-N 0 3 283.419 2.933 10 30 CFEEHN CN(CCN[C@@H]1CCCC[C@H]1C#N)Cc1ccccc1 ZINC000386725814 348536105 /nfs/dbraw/zinc/53/61/05/348536105.db2.gz TZVFFASMWNGNKY-DLBZAZTESA-N 0 3 271.408 2.790 10 30 CFEEHN C(C#CCN1CCc2ccccc2C1)#CCN1CCCCC1 ZINC000584606459 348688188 /nfs/dbraw/zinc/68/81/88/348688188.db2.gz VGBWCZVVCMKFEM-UHFFFAOYSA-N 0 3 292.426 2.537 10 30 CFEEHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)s1 ZINC000594428887 349419428 /nfs/dbraw/zinc/41/94/28/349419428.db2.gz PQKSEYCXYPJMNE-VHSXEESVSA-N 0 3 299.827 2.990 10 30 CFEEHN CCC(CC)[C@@H](C)NC(=O)c1ccc(C#CCN)s1 ZINC000104434658 186000981 /nfs/dbraw/zinc/00/09/81/186000981.db2.gz RRNKJXHXQLMIOH-LLVKDONJSA-N 0 3 278.421 2.613 10 30 CFEEHN CC(C)(C)N1CCOC[C@H](c2cccc(C#N)c2)C1 ZINC000616660782 352402538 /nfs/dbraw/zinc/40/25/38/352402538.db2.gz QIPXKCGJYAHPBS-OAHLLOKOSA-N 0 3 258.365 2.773 10 30 CFEEHN C[C@H](CNc1c(C#N)cccc1C#N)N1CCC[C@H](C)C1 ZINC000302860105 382335957 /nfs/dbraw/zinc/33/59/57/382335957.db2.gz UMPHCWHUCTZHCD-UONOGXRCSA-N 0 3 282.391 2.962 10 30 CFEEHN N#Cc1ccc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188072859 382337979 /nfs/dbraw/zinc/33/79/79/382337979.db2.gz HOLQVDRCOQCTHC-IRXDYDNUSA-N 0 3 298.411 2.828 10 30 CFEEHN CCCCCCCN1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000192014286 382704083 /nfs/dbraw/zinc/70/40/83/382704083.db2.gz NBGPJHGPZIWMOJ-HNNXBMFYSA-N 0 3 284.444 2.828 10 30 CFEEHN CCCCCCCN1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192014286 382704084 /nfs/dbraw/zinc/70/40/84/382704084.db2.gz NBGPJHGPZIWMOJ-HNNXBMFYSA-N 0 3 284.444 2.828 10 30 CFEEHN C=CCN(CC1CCCCC1)C(=O)[C@H](N)CCC ZINC000236899424 382928480 /nfs/dbraw/zinc/92/84/80/382928480.db2.gz REZZLGWFRDDTRL-CQSZACIVSA-N 0 3 252.402 2.709 10 30 CFEEHN N#Cc1ccc(CN2CC[C@]3(O)CCCC[C@H]3C2)s1 ZINC000245765245 383033490 /nfs/dbraw/zinc/03/34/90/383033490.db2.gz QRPYJKSECWBZKG-SWLSCSKDSA-N 0 3 276.405 2.747 10 30 CFEEHN C=CCC[C@H](O)CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000245993889 383056321 /nfs/dbraw/zinc/05/63/21/383056321.db2.gz HAFYCYIQXIWBCE-KBPBESRZSA-N 0 3 280.437 2.958 10 30 CFEEHN Cc1cc(C#N)ccc1CN1CCC(c2ccnn2C)CC1 ZINC000186194737 393542227 /nfs/dbraw/zinc/54/22/27/393542227.db2.gz FFRMSBQJMPAHIS-UHFFFAOYSA-N 0 3 294.402 2.980 10 30 CFEEHN CCO[C@@H]1C[C@@H](N(C)CCCC#N)C12CCCC2 ZINC000121164019 393950201 /nfs/dbraw/zinc/95/02/01/393950201.db2.gz SZJGZEOXFYKKQN-ZIAGYGMSSA-N 0 3 250.386 2.960 10 30 CFEEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037393479 173173799 /nfs/dbraw/zinc/17/37/99/173173799.db2.gz YICIAHNTPIZWQM-QPUJVOFHSA-N 0 3 265.744 2.524 10 30 CFEEHN C[C@@H](CNc1ccc(C#N)cc1F)N1CCCCC1 ZINC000038029294 174019823 /nfs/dbraw/zinc/01/98/23/174019823.db2.gz PDBIHWGQZIIFRG-LBPRGKRZSA-N 0 3 261.344 2.984 10 30 CFEEHN C[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N1CCCCC1 ZINC000038029272 174019848 /nfs/dbraw/zinc/01/98/48/174019848.db2.gz NEOWZZASJWOOCC-LBPRGKRZSA-N 0 3 288.351 2.753 10 30 CFEEHN CC(C)CN(C(=O)c1cc(C#CCN)ccc1F)C(C)C ZINC000042598113 174815430 /nfs/dbraw/zinc/81/54/30/174815430.db2.gz QAJYFAQAXIOCJC-UHFFFAOYSA-N 0 3 290.382 2.643 10 30 CFEEHN Cc1c(F)cccc1NC(=O)c1ccc(C#CCN)s1 ZINC000043322878 175006361 /nfs/dbraw/zinc/00/63/61/175006361.db2.gz DNFKGUCPFIPYOU-UHFFFAOYSA-N 0 3 288.347 2.758 10 30 CFEEHN CCOc1cc(CNC2CC2)ccc1O[C@@H](C)C#N ZINC000043513467 175061713 /nfs/dbraw/zinc/06/17/13/175061713.db2.gz IOVKBTIIKAUYST-NSHDSACASA-N 0 3 260.337 2.628 10 30 CFEEHN CC[C@@H](C#N)Oc1ccc2c(c1)OC(C)(C)C[C@H]2N ZINC000043539030 175063727 /nfs/dbraw/zinc/06/37/27/175063727.db2.gz VQUURAAPLMRDDR-GXFFZTMASA-N 0 3 260.337 2.928 10 30 CFEEHN CC[C@@H]1CCCCN1C(=O)c1ccc(C#CCN)c(F)c1 ZINC000043582902 175070100 /nfs/dbraw/zinc/07/01/00/175070100.db2.gz ODRCMDZJYFGXAB-OAHLLOKOSA-N 0 3 288.366 2.541 10 30 CFEEHN CCCCN(Cc1sccc1C#CCO)C1CC1 ZINC000043678171 175089020 /nfs/dbraw/zinc/08/90/20/175089020.db2.gz JOKKYNSCVBJPDN-UHFFFAOYSA-N 0 3 263.406 2.856 10 30 CFEEHN CCCCN(C)Cc1ccc(C#CCCO)s1 ZINC000043679053 175089470 /nfs/dbraw/zinc/08/94/70/175089470.db2.gz JDQQHSOLZLCXPS-UHFFFAOYSA-N 0 3 251.395 2.714 10 30 CFEEHN COCCN(Cc1ccc(C#CCCO)s1)CC(C)C ZINC000043679785 175090190 /nfs/dbraw/zinc/09/01/90/175090190.db2.gz HZFYIEICYHOOOV-UHFFFAOYSA-N 0 3 295.448 2.586 10 30 CFEEHN NCC#Cc1ccc(CN(Cc2ccco2)C2CC2)s1 ZINC000043684247 175092885 /nfs/dbraw/zinc/09/28/85/175092885.db2.gz IWEFRXJVMOUAGH-UHFFFAOYSA-N 0 3 286.400 2.816 10 30 CFEEHN NCC#Cc1ccsc1COCc1ccccc1 ZINC000043684546 175093150 /nfs/dbraw/zinc/09/31/50/175093150.db2.gz NNTYUKVLJOJRIR-UHFFFAOYSA-N 0 3 257.358 2.775 10 30 CFEEHN NCC#Cc1csc(CN(CC(F)(F)F)C2CC2)c1 ZINC000043689134 175096251 /nfs/dbraw/zinc/09/62/51/175096251.db2.gz MHTFUULBOODRKE-UHFFFAOYSA-N 0 3 288.338 2.585 10 30 CFEEHN CC1(NC(=O)c2ccc(C#CCN)c(F)c2)CCCCC1 ZINC000045047658 175297019 /nfs/dbraw/zinc/29/70/19/175297019.db2.gz IHURGCCMDARSMG-UHFFFAOYSA-N 0 3 288.366 2.589 10 30 CFEEHN Cc1ccc2c(c1)C(C#N)N(CCc1nccs1)C2=O ZINC000071678083 176242811 /nfs/dbraw/zinc/24/28/11/176242811.db2.gz LCOGOPSDPFANDQ-CYBMUJFWSA-N 0 3 283.356 2.715 10 30 CFEEHN CCN1CCC[C@@H]1CN(C)c1nc(C)c(C#N)cc1Cl ZINC000336829844 276370876 /nfs/dbraw/zinc/37/08/76/276370876.db2.gz DPXMANFIMUOSQV-CYBMUJFWSA-N 0 3 292.814 2.836 10 30 CFEEHN CCN1CCC[C@H]1CN(C)c1cc(C#N)ccc1C(C)=O ZINC000131310965 276377495 /nfs/dbraw/zinc/37/74/95/276377495.db2.gz CUICVXHVVGWUCQ-HNNXBMFYSA-N 0 3 285.391 2.681 10 30 CFEEHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc2ccccc2c1 ZINC000119306351 327899347 /nfs/dbraw/zinc/89/93/47/327899347.db2.gz ANYOJJHXCTUDRZ-KGLIPLIRSA-N 0 3 280.371 2.628 10 30 CFEEHN C=C[C@H](CC(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000179342583 329207133 /nfs/dbraw/zinc/20/71/33/329207133.db2.gz XZEFPAYWVUVMNR-NVXWUHKLSA-N 0 3 284.403 2.653 10 30 CFEEHN C=CC[C@H](C)[C@H](C)[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263504321 330058252 /nfs/dbraw/zinc/05/82/52/330058252.db2.gz LOJYUMGRVQWKEA-VRLRAXNCSA-N 0 3 294.439 2.504 10 30 CFEEHN C=CC[C@H](C)[C@H](C)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263504321 330058254 /nfs/dbraw/zinc/05/82/54/330058254.db2.gz LOJYUMGRVQWKEA-VRLRAXNCSA-N 0 3 294.439 2.504 10 30 CFEEHN C=CC[C@H](C)[C@H](C)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263504321 330058256 /nfs/dbraw/zinc/05/82/56/330058256.db2.gz LOJYUMGRVQWKEA-VRLRAXNCSA-N 0 3 294.439 2.504 10 30 CFEEHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1Cl ZINC000424075765 330220723 /nfs/dbraw/zinc/22/07/23/330220723.db2.gz KJDFTNRAQSXMQK-MFKMUULPSA-N 0 3 279.771 2.538 10 30 CFEEHN CC(C)(C)OC(=O)C(C)(C)[C@@H](N)c1ccc(C#N)cc1 ZINC000536960259 330384123 /nfs/dbraw/zinc/38/41/23/330384123.db2.gz XDHSRKORWQERTB-ZDUSSCGKSA-N 0 3 274.364 2.926 10 30 CFEEHN CCCC(=O)N[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000174840630 333008512 /nfs/dbraw/zinc/00/85/12/333008512.db2.gz MCWXWRLHDMMMSD-CQSZACIVSA-N 0 3 279.428 2.697 10 30 CFEEHN CCC1CCN(Cc2cc(C#CCO)ccc2OC)CC1 ZINC000049614981 519859272 /nfs/dbraw/zinc/85/92/72/519859272.db2.gz DGDWYGGIBVBDHN-UHFFFAOYSA-N 0 3 287.403 2.661 10 30 CFEEHN CCC1CCN(Cc2ccccc2C#CCO)CC1 ZINC000049614977 519859712 /nfs/dbraw/zinc/85/97/12/519859712.db2.gz SHLIZLQMWTWYER-UHFFFAOYSA-N 0 3 257.377 2.652 10 30 CFEEHN CC(C)c1nccn1Cc1ccc(C#CCN)cc1F ZINC000049610135 519880090 /nfs/dbraw/zinc/88/00/90/519880090.db2.gz LPXDIJMFLMULJW-UHFFFAOYSA-N 0 3 271.339 2.504 10 30 CFEEHN CCCC1CCN(CC[C@@H](C#N)NC(C)C)CC1 ZINC000062438759 519901313 /nfs/dbraw/zinc/90/13/13/519901313.db2.gz NHTAQZAROZKBDA-HNNXBMFYSA-N 0 3 251.418 2.779 10 30 CFEEHN CCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(C#CCN)cc1 ZINC000049586693 520613289 /nfs/dbraw/zinc/61/32/89/520613289.db2.gz VBFKAVSZDUUEIV-KGLIPLIRSA-N 0 3 272.392 2.610 10 30 CFEEHN CCN(CC)CCN[C@@]1(C#N)CCCc2sccc21 ZINC000061329731 520689130 /nfs/dbraw/zinc/68/91/30/520689130.db2.gz YGUJZVFUTCRNFG-OAHLLOKOSA-N 0 3 277.437 2.735 10 30 CFEEHN CC1CCC(OCCOc2ccc(C#CCN)cc2)CC1 ZINC000049610620 520963222 /nfs/dbraw/zinc/96/32/22/520963222.db2.gz QVGZBYOYEWWDNV-UHFFFAOYSA-N 0 3 287.403 2.971 10 30 CFEEHN CCN(Cc1cccs1)CC1(C=O)CCOCC1 ZINC000052180274 521407309 /nfs/dbraw/zinc/40/73/09/521407309.db2.gz JBGCCLFMWDHNSD-UHFFFAOYSA-N 0 3 267.394 2.566 10 30 CFEEHN CC[C@H]1CCCN(Cc2ccc(OC)c(C#CCO)c2)C1 ZINC000049613060 523092595 /nfs/dbraw/zinc/09/25/95/523092595.db2.gz GMPZHOOFHAYHGV-HNNXBMFYSA-N 0 3 287.403 2.661 10 30 CFEEHN CN(Cc1ccc(C#CCN)cc1)Cc1cccc(F)c1 ZINC000049608792 523203340 /nfs/dbraw/zinc/20/33/40/523203340.db2.gz INMBVDSSXSGKRN-UHFFFAOYSA-N 0 3 282.362 2.768 10 30 CFEEHN CN(Cc1cccc(F)c1)Cc1ccccc1C#CCN ZINC000049608791 523311793 /nfs/dbraw/zinc/31/17/93/523311793.db2.gz MCONZYWQTNJISA-UHFFFAOYSA-N 0 3 282.362 2.768 10 30 CFEEHN CN(Cc1cccs1)Cc1ccc(C#CCN)cc1F ZINC000049609095 523447059 /nfs/dbraw/zinc/44/70/59/523447059.db2.gz MYQOSYPGDNAQSV-UHFFFAOYSA-N 0 3 288.391 2.829 10 30 CFEEHN CN(Cc1cccs1)Cc1ccc(C#CCO)cc1 ZINC000049618128 523448121 /nfs/dbraw/zinc/44/81/21/523448121.db2.gz LYJOOPXVCWUEDJ-UHFFFAOYSA-N 0 3 271.385 2.724 10 30 CFEEHN CN(Cc1cccs1)Cc1cccc(C#CCN)c1 ZINC000049609096 523448187 /nfs/dbraw/zinc/44/81/87/523448187.db2.gz CHOFDEJQTSVCJQ-UHFFFAOYSA-N 0 3 270.401 2.690 10 30 CFEEHN COc1ccc(C#CCN)cc1COCc1ccccc1 ZINC000049610344 523514494 /nfs/dbraw/zinc/51/44/94/523514494.db2.gz MJRBRVJVDBYILF-UHFFFAOYSA-N 0 3 281.355 2.722 10 30 CFEEHN CN1CCCC[C@@H]1CN[C@@H](CC#N)c1ccccc1 ZINC000055018585 523795947 /nfs/dbraw/zinc/79/59/47/523795947.db2.gz HEMMHBUEYLBVIX-CVEARBPZSA-N 0 3 257.381 2.715 10 30 CFEEHN COc1ccc(CN2[C@@H](C)CCC[C@@H]2C)cc1C#CCO ZINC000049616908 524043553 /nfs/dbraw/zinc/04/35/53/524043553.db2.gz JWESJIDAMKYUFE-GJZGRUSLSA-N 0 3 287.403 2.802 10 30 CFEEHN COc1ccc(CO[C@H](C)CC(C)C)cc1C#CCN ZINC000049610811 524118797 /nfs/dbraw/zinc/11/87/97/524118797.db2.gz KFQRLMLFQXUSTD-CQSZACIVSA-N 0 3 275.392 2.957 10 30 CFEEHN C[C@@H]1CCC[C@H](OCCOc2ccc(C#CCN)cc2)C1 ZINC000049610974 524411071 /nfs/dbraw/zinc/41/10/71/524411071.db2.gz BIHYTTAVCXKOCC-QAPCUYQASA-N 0 3 287.403 2.971 10 30 CFEEHN Cc1cccc(N(C)C(=O)c2ccc(C#CCN)cc2)c1 ZINC000049991654 524518211 /nfs/dbraw/zinc/51/82/11/524518211.db2.gz ZDPTYOQUNVRUCI-UHFFFAOYSA-N 0 3 278.355 2.582 10 30 CFEEHN C[C@@H](NC(=O)c1ccccc1C#CCN)C1CCCCC1 ZINC000052344708 525349285 /nfs/dbraw/zinc/34/92/85/525349285.db2.gz JTAKWQQFXODNPT-CQSZACIVSA-N 0 3 284.403 2.695 10 30 CFEEHN C[C@@H]1Cc2ccccc2N1Cc1ccc(C#CCN)cc1 ZINC000049608554 525534334 /nfs/dbraw/zinc/53/43/34/525534334.db2.gz FQTNSMYAZJNBHX-OAHLLOKOSA-N 0 3 276.383 2.948 10 30 CFEEHN C[C@@H]1Cc2ccccc2N1Cc1ccccc1C#CCN ZINC000049608552 525534522 /nfs/dbraw/zinc/53/45/22/525534522.db2.gz IAFNCBIMLCSOMV-OAHLLOKOSA-N 0 3 276.383 2.948 10 30 CFEEHN Cc1ccc([C@@H](C)NC(=O)c2ccccc2C#CCN)s1 ZINC000049189286 525718413 /nfs/dbraw/zinc/71/84/13/525718413.db2.gz FHQGGTQITZXONH-CYBMUJFWSA-N 0 3 298.411 2.858 10 30 CFEEHN C[C@H](C#N)Oc1ccc(CNC2CC2)cc1Br ZINC000062702234 525925167 /nfs/dbraw/zinc/92/51/67/525925167.db2.gz DOWWUAPZBKJUIK-SECBINFHSA-N 0 3 295.180 2.992 10 30 CFEEHN N#Cc1ccc(CN2CCC[C@H]2CCCO)c(Cl)c1 ZINC000162898966 526613186 /nfs/dbraw/zinc/61/31/86/526613186.db2.gz ODEROPGQWSCAAP-AWEZNQCLSA-N 0 3 278.783 2.949 10 30 CFEEHN N#Cc1ccc(COc2cc(CN)ccc2[N+](=O)[O-])cc1 ZINC000050516119 526629387 /nfs/dbraw/zinc/62/93/87/526629387.db2.gz DHKRJELWFWLFKS-UHFFFAOYSA-N 0 3 283.287 2.504 10 30 CFEEHN N#Cc1ccc(F)cc1CN1CCC(c2ccn[nH]2)CC1 ZINC000159218065 526640136 /nfs/dbraw/zinc/64/01/36/526640136.db2.gz IYZBAXPSOAWZPG-UHFFFAOYSA-N 0 3 284.338 2.800 10 30 CFEEHN NCC#Cc1cc(CN2Cc3ccccc3C2)ccc1F ZINC000050911918 527147237 /nfs/dbraw/zinc/14/72/37/527147237.db2.gz DFFYZTGLZHGTDM-UHFFFAOYSA-N 0 3 280.346 2.652 10 30 CFEEHN NCC#Cc1cc(F)ccc1COC1CCCCC1 ZINC000049610326 527148706 /nfs/dbraw/zinc/14/87/06/527148706.db2.gz VSGFPORYYGXCOB-UHFFFAOYSA-N 0 3 261.340 2.985 10 30 CFEEHN NCC#Cc1ccc(COc2ccccc2F)cc1 ZINC000049610447 527149685 /nfs/dbraw/zinc/14/96/85/527149685.db2.gz CJXYWXYPUNVXEA-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN NCC#Cc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000049586278 527149726 /nfs/dbraw/zinc/14/97/26/527149726.db2.gz UUDRWWQWUYTHKI-UHFFFAOYSA-N 0 3 298.773 2.580 10 30 CFEEHN NCC#Cc1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000061691996 527150170 /nfs/dbraw/zinc/15/01/70/527150170.db2.gz SLSBUCQTUZWLTM-UHFFFAOYSA-N 0 3 290.775 2.964 10 30 CFEEHN NCC#Cc1cccc(CNC(=O)c2ccccc2Cl)c1 ZINC000049586495 527152127 /nfs/dbraw/zinc/15/21/27/527152127.db2.gz ZKPRCCAANUSSLI-UHFFFAOYSA-N 0 3 298.773 2.580 10 30 CFEEHN NCC#Cc1ccccc1C(=O)Nc1nc(C2CC2)cs1 ZINC000049239574 527152980 /nfs/dbraw/zinc/15/29/80/527152980.db2.gz UIOYYRARSLOQIH-UHFFFAOYSA-N 0 3 297.383 2.583 10 30 CFEEHN NCC#Cc1ccccc1COCCc1cccs1 ZINC000049611175 527154642 /nfs/dbraw/zinc/15/46/42/527154642.db2.gz OBXBBSZUDSIQSW-UHFFFAOYSA-N 0 3 271.385 2.818 10 30 CFEEHN NCC#Cc1ccccc1OCc1ccc(F)cc1F ZINC000050886306 527155439 /nfs/dbraw/zinc/15/54/39/527155439.db2.gz TXIHGCDQRDQGFW-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN OCCC#Cc1cc(CN2CCCCCC2)ccc1F ZINC000049616154 527529937 /nfs/dbraw/zinc/52/99/37/527529937.db2.gz UHBRDVPRHYZXKV-UHFFFAOYSA-N 0 3 275.367 2.936 10 30 CFEEHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000042335612 620659843 /nfs/dbraw/zinc/65/98/43/620659843.db2.gz OYISAYSYPAEDKQ-KGLIPLIRSA-N 0 3 272.392 2.599 10 30 CFEEHN Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1CN ZINC000757137851 617789321 /nfs/dbraw/zinc/78/93/21/617789321.db2.gz OFCFFHFKARQJNQ-UHFFFAOYSA-N 0 3 297.149 2.552 10 30 CFEEHN C[C@H](C#N)OCCN[C@H](C)c1ccc(Cl)s1 ZINC000304206223 651016919 /nfs/dbraw/zinc/01/69/19/651016919.db2.gz CXPQSCJNYKDSDT-RKDXNWHRSA-N 0 3 258.774 2.981 10 30 CFEEHN CO[C@H](CN[C@@H]1CCCC[C@H]1C#N)C1CCCC1 ZINC000595687406 349700060 /nfs/dbraw/zinc/70/00/60/349700060.db2.gz CKPSYTQSYVTLGM-RRFJBIMHSA-N 0 3 250.386 2.864 10 30 CFEEHN N#C[C@H]1CCCC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000054826206 346576890 /nfs/dbraw/zinc/57/68/90/346576890.db2.gz GOHFARVKQYHXJX-HIFRSBDPSA-N 0 3 273.336 2.809 10 30 CFEEHN C=C(C)[C@H](N)c1csc(I)c1 ZINC000131491486 347878942 /nfs/dbraw/zinc/87/89/42/347878942.db2.gz OSVQWDQFOTYICR-QMMMGPOBSA-N 0 3 279.146 2.929 10 30 CFEEHN CC(C)N1CCC[C@@](C#N)(NCc2cccs2)CC1 ZINC000086849220 179358699 /nfs/dbraw/zinc/35/86/99/179358699.db2.gz WXXQMEDZWDDAGM-OAHLLOKOSA-N 0 3 277.437 2.994 10 30 CFEEHN C#CC[C@H](NC)c1sccc1I ZINC000306540420 348388705 /nfs/dbraw/zinc/38/87/05/348388705.db2.gz WGWPYDUFBWCIJO-QMMMGPOBSA-N 0 3 291.157 2.637 10 30 CFEEHN CN(CCN[C@@H]1CCCC[C@@H]1C#N)Cc1ccccc1 ZINC000386725815 348535865 /nfs/dbraw/zinc/53/58/65/348535865.db2.gz TZVFFASMWNGNKY-IAGOWNOFSA-N 0 3 271.408 2.790 10 30 CFEEHN Cc1ccccc1[C@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594425907 349418036 /nfs/dbraw/zinc/41/80/36/349418036.db2.gz MSQRVJILIGEQRW-ZFWWWQNUSA-N 0 3 273.380 2.584 10 30 CFEEHN C=CC(C)(C)CCNCc1csc(COC)n1 ZINC000623593095 353680553 /nfs/dbraw/zinc/68/05/53/353680553.db2.gz SXIWWDMBUWDWNT-UHFFFAOYSA-N 0 3 254.399 2.981 10 30 CFEEHN CN1C[C@H](CC#N)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21 ZINC000029320408 372377714 /nfs/dbraw/zinc/37/77/14/372377714.db2.gz UBULIBNSZMFGMU-XHBSWPGZSA-N 0 3 265.360 2.827 10 30 CFEEHN C=CCOc1ccccc1CNC[C@H]1CCCC[C@H]1O ZINC000077204439 374559565 /nfs/dbraw/zinc/55/95/65/374559565.db2.gz CVRFSOTXTXUTSF-GDBMZVCRSA-N 0 3 275.392 2.892 10 30 CFEEHN CC(C)(C#N)CCCN1CC[C@H](Oc2cccnc2)C1 ZINC000152260062 378405477 /nfs/dbraw/zinc/40/54/77/378405477.db2.gz ZQWRZNMBIBPZGH-HNNXBMFYSA-N 0 3 273.380 2.865 10 30 CFEEHN N#Cc1cccc(OCCCN2C[C@H]3CCC[C@H]32)c1 ZINC000357623862 382256169 /nfs/dbraw/zinc/25/61/69/382256169.db2.gz UIKQNKIHIOJRQH-GDBMZVCRSA-N 0 3 256.349 2.811 10 30 CFEEHN CC(C)(CCC#N)CN1CCO[C@H]2CCCC[C@H]21 ZINC000245545236 383005484 /nfs/dbraw/zinc/00/54/84/383005484.db2.gz SZNJZIRONXVHPN-KGLIPLIRSA-N 0 3 250.386 2.960 10 30 CFEEHN N#Cc1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)s1 ZINC000245765247 383033642 /nfs/dbraw/zinc/03/36/42/383033642.db2.gz QRPYJKSECWBZKG-WFASDCNBSA-N 0 3 276.405 2.747 10 30 CFEEHN C=C[C@H](CC(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000245695427 383023103 /nfs/dbraw/zinc/02/31/03/383023103.db2.gz XZEFPAYWVUVMNR-WBVHZDCISA-N 0 3 284.403 2.653 10 30 CFEEHN C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CCCN1CC ZINC000188480330 262299370 /nfs/dbraw/zinc/29/93/70/262299370.db2.gz DKPMJTHYXMSMPP-UKRRQHHQSA-N 0 3 252.402 2.531 10 30 CFEEHN CCO[C@H]1C[C@@H](N(C)CCCC#N)C12CCCC2 ZINC000121164186 393950173 /nfs/dbraw/zinc/95/01/73/393950173.db2.gz SZJGZEOXFYKKQN-KGLIPLIRSA-N 0 3 250.386 2.960 10 30 CFEEHN CC[C@@H]1CN2CCC[C@H]2CN1c1ncc(C#N)cc1Cl ZINC000246501990 287231900 /nfs/dbraw/zinc/23/19/00/287231900.db2.gz SDTIUKITAICPIA-OLZOCXBDSA-N 0 3 290.798 2.670 10 30 CFEEHN CN(C)C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000007817357 170304148 /nfs/dbraw/zinc/30/41/48/170304148.db2.gz IDJMKXWHZWUEGA-QGZVFWFLSA-N 0 3 293.370 2.591 10 30 CFEEHN CCC(CC)N(C)CC(=O)Nc1ccccc1C#N ZINC000035208053 172054162 /nfs/dbraw/zinc/05/41/62/172054162.db2.gz WUYNFJNQSCNAKY-UHFFFAOYSA-N 0 3 259.353 2.617 10 30 CFEEHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(C)n1CC ZINC000661114849 413767057 /nfs/dbraw/zinc/76/70/57/413767057.db2.gz NHCLCFLSIJWEJL-ZIAGYGMSSA-N 0 3 262.401 2.831 10 30 CFEEHN CC[C@H](C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000037386328 173168712 /nfs/dbraw/zinc/16/87/12/173168712.db2.gz ZXBIBLBFUTVDMB-VIFPVBQESA-N 0 3 265.744 2.538 10 30 CFEEHN C=C(Cl)CNC[C@@H](c1cccc(OC)c1)N(C)C ZINC000037488957 173230590 /nfs/dbraw/zinc/23/05/90/173230590.db2.gz UTMUXZCXMUJZAL-AWEZNQCLSA-N 0 3 268.788 2.640 10 30 CFEEHN C[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N1CCCCC1 ZINC000038029273 174019409 /nfs/dbraw/zinc/01/94/09/174019409.db2.gz NEOWZZASJWOOCC-GFCCVEGCSA-N 0 3 288.351 2.753 10 30 CFEEHN NCC#Cc1c(OCC2CC2)ccc2ccccc21 ZINC000038077867 174087910 /nfs/dbraw/zinc/08/79/10/174087910.db2.gz AYVWMVWRQPUITB-UHFFFAOYSA-N 0 3 251.329 2.939 10 30 CFEEHN CN1CCC[C@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000040673487 174372231 /nfs/dbraw/zinc/37/22/31/174372231.db2.gz KGXGUHJVFGNXCG-ZDUSSCGKSA-N 0 3 266.348 2.613 10 30 CFEEHN COc1ccccc1COc1ccc(C)cc1C#CCN ZINC000043457893 175050766 /nfs/dbraw/zinc/05/07/66/175050766.db2.gz PMTWZLIDKHXLMX-UHFFFAOYSA-N 0 3 281.355 2.893 10 30 CFEEHN CCCNCc1cccc(OC)c1O[C@H](C#N)CC ZINC000043538886 175063723 /nfs/dbraw/zinc/06/37/23/175063723.db2.gz JYOGRZWLDDLVRG-ZDUSSCGKSA-N 0 3 262.353 2.876 10 30 CFEEHN CCCCN(C)Cc1sccc1C#CCCO ZINC000043679061 175089554 /nfs/dbraw/zinc/08/95/54/175089554.db2.gz QIDQQLKWAIJXMT-UHFFFAOYSA-N 0 3 251.395 2.714 10 30 CFEEHN CCCCCN(C)Cc1sccc1C#CCO ZINC000043679583 175090242 /nfs/dbraw/zinc/09/02/42/175090242.db2.gz ZQDIHCGOEGDWJV-UHFFFAOYSA-N 0 3 251.395 2.714 10 30 CFEEHN NCC#Cc1ccc(COc2ccccc2F)s1 ZINC000043684755 175092818 /nfs/dbraw/zinc/09/28/18/175092818.db2.gz YYJKHSTZRDIANE-UHFFFAOYSA-N 0 3 261.321 2.776 10 30 CFEEHN CC(C)N(Cc1sccc1C#CCN)CC(F)(F)F ZINC000043684270 175093165 /nfs/dbraw/zinc/09/31/65/175093165.db2.gz CWOHVBPJQNIBDC-UHFFFAOYSA-N 0 3 290.354 2.831 10 30 CFEEHN NCC#Cc1ccsc1COc1cc(F)ccc1F ZINC000071168181 176049358 /nfs/dbraw/zinc/04/93/58/176049358.db2.gz RSHBIUSCHZCFJS-UHFFFAOYSA-N 0 3 279.311 2.916 10 30 CFEEHN Cc1cccc2c1C(=O)N(CCCCn1ccnc1)C2C#N ZINC000071678206 176243157 /nfs/dbraw/zinc/24/31/57/176243157.db2.gz MVUPVLFZCWKTGN-OAHLLOKOSA-N 0 3 294.358 2.692 10 30 CFEEHN CN(C)c1ccc2c(c1)C(C#N)N(C(C)(C)C)C2=O ZINC000071679090 176243649 /nfs/dbraw/zinc/24/36/49/176243649.db2.gz QUXKZQYXRFKGGA-CYBMUJFWSA-N 0 3 257.337 2.572 10 30 CFEEHN CCC[NH+](CCC)CCc1cccc2c1CC(=O)N2[O-] ZINC000077300966 177250412 /nfs/dbraw/zinc/25/04/12/177250412.db2.gz ZZJILQRDDQRQLG-UHFFFAOYSA-N 0 3 276.380 2.629 10 30 in-vitro CFEEHN N#Cc1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c(Cl)c1 ZINC000399046774 270325776 /nfs/dbraw/zinc/32/57/76/270325776.db2.gz JPIPTUYBECYEFZ-AEGPPILISA-N 0 3 290.794 2.804 10 30 CFEEHN C[C@H]1CN2CCCC[C@@H]2CN1CCCC(C)(C)C#N ZINC000093097817 327104495 /nfs/dbraw/zinc/10/44/95/327104495.db2.gz QJDFWZZPVHCEHI-LSDHHAIUSA-N 0 3 263.429 2.875 10 30 CFEEHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1Cl ZINC000424075762 330220734 /nfs/dbraw/zinc/22/07/34/330220734.db2.gz KJDFTNRAQSXMQK-GWCFXTLKSA-N 0 3 279.771 2.538 10 30 CFEEHN C#CCOc1c(CN[C@@H](C)CC)cccc1OCC ZINC000045945805 518315938 /nfs/dbraw/zinc/31/59/38/518315938.db2.gz GALLORYZYIYUNB-ZDUSSCGKSA-N 0 3 261.365 2.985 10 30 CFEEHN CC(C)C[C@H]1CSC(N[C@@H](CN(C)C)C(C)C)=N1 ZINC000049222047 519416756 /nfs/dbraw/zinc/41/67/56/519416756.db2.gz MMDXVSRXGOQOGX-STQMWFEESA-N 0 3 271.474 2.680 10 30 CFEEHN CC(C)CCN(C)Cc1ccc(C#CCO)cc1F ZINC000049614905 519650672 /nfs/dbraw/zinc/65/06/72/519650672.db2.gz UBDREIALOOHNEN-UHFFFAOYSA-N 0 3 263.356 2.647 10 30 CFEEHN CCCCC[C@@H](C)NC(=O)c1ccccc1C#CCN ZINC000049105938 520287717 /nfs/dbraw/zinc/28/77/17/520287717.db2.gz CYRRNIRGSQXBSV-CQSZACIVSA-N 0 3 272.392 2.695 10 30 CFEEHN CCN(Cc1ccco1)Cc1ccc(F)cc1C#CCN ZINC000049609861 521398159 /nfs/dbraw/zinc/39/81/59/521398159.db2.gz LYDCAPBLMVWSHS-UHFFFAOYSA-N 0 3 286.350 2.751 10 30 CFEEHN CCC(CC)C(=O)N[C@@H](C)c1ccc(C#CCN)cc1 ZINC000049586771 521498181 /nfs/dbraw/zinc/49/81/81/521498181.db2.gz SDZTWNSVFACGOP-ZDUSSCGKSA-N 0 3 272.392 2.610 10 30 CFEEHN CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#CCN)s1 ZINC000049124790 523058750 /nfs/dbraw/zinc/05/87/50/523058750.db2.gz NUNVPXHSMMLIFF-GXTWGEPZSA-N 0 3 290.432 2.757 10 30 CFEEHN CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#CCN)s1 ZINC000049124781 523196472 /nfs/dbraw/zinc/19/64/72/523196472.db2.gz NUNVPXHSMMLIFF-OCCSQVGLSA-N 0 3 290.432 2.757 10 30 CFEEHN CN(Cc1ccccc1C#CCN)C(=O)C1CCCCC1 ZINC000049586833 523358169 /nfs/dbraw/zinc/35/81/69/523358169.db2.gz WSQLXRWKJNBVJC-UHFFFAOYSA-N 0 3 284.403 2.536 10 30 CFEEHN CN1CCCC[C@H]1CN[C@@H](CC#N)c1ccccc1 ZINC000055018588 523799539 /nfs/dbraw/zinc/79/95/39/523799539.db2.gz HEMMHBUEYLBVIX-HOTGVXAUSA-N 0 3 257.381 2.715 10 30 CFEEHN CC[C@H](C)CN(C)Cc1ccc(C#CCO)cc1F ZINC000049617905 523869512 /nfs/dbraw/zinc/86/95/12/523869512.db2.gz MIYXIFSJBJHPQM-ZDUSSCGKSA-N 0 3 263.356 2.647 10 30 CFEEHN CC[C@H](C)N1CCN([C@@H]2CCCCC[C@@H]2C#N)CC1 ZINC000055066470 523957962 /nfs/dbraw/zinc/95/79/62/523957962.db2.gz YVKWSSDXMYMZJT-ARFHVFGLSA-N 0 3 263.429 2.875 10 30 CFEEHN C[C@@H]1CCCCN1Cc1ccc(C#CCO)cc1F ZINC000049615733 524115882 /nfs/dbraw/zinc/11/58/82/524115882.db2.gz BIROCPJODKMDMV-CYBMUJFWSA-N 0 3 261.340 2.544 10 30 CFEEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1F ZINC000083704497 524682538 /nfs/dbraw/zinc/68/25/38/524682538.db2.gz SODRMZKPCMAXTP-XJKSGUPXSA-N 0 3 287.382 2.756 10 30 CFEEHN COc1cccc(COCc2ccc(C#CCN)cc2)c1 ZINC000049610307 526054336 /nfs/dbraw/zinc/05/43/36/526054336.db2.gz XLNXBRDWAFTZAW-UHFFFAOYSA-N 0 3 281.355 2.722 10 30 CFEEHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1nc2cccnc2s1 ZINC000329155680 526406268 /nfs/dbraw/zinc/40/62/68/526406268.db2.gz BTHIPFKJPQVMRZ-ZJUUUORDSA-N 0 3 290.392 2.536 10 30 CFEEHN CNC(=O)[C@@H]1CCC[C@H]1NCc1nc2cccnc2s1 ZINC000329155679 526406424 /nfs/dbraw/zinc/40/64/24/526406424.db2.gz BTHIPFKJPQVMRZ-NXEZZACHSA-N 0 3 290.392 2.536 10 30 CFEEHN Cc1occc1CN(C)Cc1ccc(C#CCN)cc1F ZINC000049609919 526823988 /nfs/dbraw/zinc/82/39/88/526823988.db2.gz CFQKZXMXDMTRGU-UHFFFAOYSA-N 0 3 286.350 2.669 10 30 CFEEHN NCC#Cc1cc(COC2CCCCC2)ccc1F ZINC000049610328 527146728 /nfs/dbraw/zinc/14/67/28/527146728.db2.gz BHPOXZAQYPCYGA-UHFFFAOYSA-N 0 3 261.340 2.985 10 30 CFEEHN NCC#Cc1cc(F)ccc1COc1cccc(F)c1 ZINC000049610567 527148088 /nfs/dbraw/zinc/14/80/88/527148088.db2.gz BCBHKBWHHUHLAI-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN NCC#Cc1cc(F)ccc1CSc1nccs1 ZINC000049612870 527149071 /nfs/dbraw/zinc/14/90/71/527149071.db2.gz OOTKYLHUUXSAOK-UHFFFAOYSA-N 0 3 278.377 2.885 10 30 CFEEHN NCC#Cc1cccc(OCCOc2ccc(F)cc2)c1 ZINC000049610518 527153632 /nfs/dbraw/zinc/15/36/32/527153632.db2.gz PUIMXXPAAAYDEH-UHFFFAOYSA-N 0 3 285.318 2.594 10 30 CFEEHN NCC#Cc1ccsc1CN1Cc2ccccc2C1 ZINC000050911912 527154778 /nfs/dbraw/zinc/15/47/78/527154778.db2.gz NQEKFJXIDQSBJN-UHFFFAOYSA-N 0 3 268.385 2.574 10 30 CFEEHN OCCC#Cc1cc(F)ccc1CN1CCCCC1 ZINC000049616759 527529685 /nfs/dbraw/zinc/52/96/85/527529685.db2.gz BUHMXULYVYAOMD-UHFFFAOYSA-N 0 3 261.340 2.546 10 30 CFEEHN OCCC#Cc1cc(F)ccc1CN1CCCCCC1 ZINC000049616153 527530081 /nfs/dbraw/zinc/53/00/81/527530081.db2.gz BECBOOADAYVSOK-UHFFFAOYSA-N 0 3 275.367 2.936 10 30 CFEEHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000042335616 620659777 /nfs/dbraw/zinc/65/97/77/620659777.db2.gz OYISAYSYPAEDKQ-ZIAGYGMSSA-N 0 3 272.392 2.599 10 30 CFEEHN N#CC(C(=O)[C@@H]1C[C@H]1C1CC1)c1nc2ccccc2[nH]1 ZINC000246110828 650853886 /nfs/dbraw/zinc/85/38/86/650853886.db2.gz JSFQCSJLYDPQAP-QJPTWQEYSA-N 0 3 265.316 2.785 10 30 CFEEHN C=CCOc1ccccc1CN[C@H]1CCC[C@H](O)C1 ZINC000037321033 346329245 /nfs/dbraw/zinc/32/92/45/346329245.db2.gz YTUDDRAUYOYUEF-GJZGRUSLSA-N 0 3 261.365 2.645 10 30 CFEEHN CC(C)[N+]([O-])=C[C@H](O)COc1cccc2ccccc21 ZINC000111440096 347754323 /nfs/dbraw/zinc/75/43/23/347754323.db2.gz HZIWJRLPDPBUQJ-FBJMNJBLSA-N 0 3 273.332 2.569 10 30 CFEEHN C=CCC[C@H](N)c1cc(OC)c(OC)cc1OC ZINC000167766033 348046199 /nfs/dbraw/zinc/04/61/99/348046199.db2.gz WSVJMNPHPUYSEN-NSHDSACASA-N 0 3 251.326 2.678 10 30 CFEEHN C[C@]1(/[N+]([O-])=C/c2ccc(F)cc2)CCCCC1=O ZINC000225398608 348177376 /nfs/dbraw/zinc/17/73/76/348177376.db2.gz KLQVEFZESSHFFJ-FBKCMUNRSA-N 0 3 250.293 2.548 10 30 CFEEHN C=C[C@@H](N)c1cccc(C)c1I ZINC000229299451 348200221 /nfs/dbraw/zinc/20/02/21/348200221.db2.gz IYJIKVYIGJACIS-SECBINFHSA-N 0 3 273.117 2.785 10 30 CFEEHN C=C[C@H](N)c1sccc1I ZINC000238606205 348247899 /nfs/dbraw/zinc/24/78/99/348247899.db2.gz GEDNUCOXSDTZSH-LURJTMIESA-N 0 3 265.119 2.539 10 30 CFEEHN Cc1cc(C#N)ccc1CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000251883622 348294773 /nfs/dbraw/zinc/29/47/73/348294773.db2.gz VOKDTMDKSZUDBW-ROUUACIJSA-N 0 3 284.403 2.994 10 30 CFEEHN N#CC1CC(=O)c2cc(Br)cc(F)c21 ZINC000584618137 348691493 /nfs/dbraw/zinc/69/14/93/348691493.db2.gz DLUSWYLUKSUNLM-YFKPBYRVSA-N 0 3 254.058 2.782 10 30 CFEEHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000180881762 189281470 /nfs/dbraw/zinc/28/14/70/189281470.db2.gz SIILKUZMFVBYMY-GXTWGEPZSA-N 0 3 279.380 2.682 10 30 CFEEHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000180881783 189281834 /nfs/dbraw/zinc/28/18/34/189281834.db2.gz SIILKUZMFVBYMY-TZMCWYRMSA-N 0 3 279.380 2.682 10 30 CFEEHN CCC1S/C(=N\c2ccccc2Cl)NC1=O ZINC000011638049 371923199 /nfs/dbraw/zinc/92/31/99/371923199.db2.gz GUBZNFIBCFUHPQ-SECBINFHSA-N 0 3 254.742 2.969 10 30 CFEEHN CN(C)CC/N=C1\c2ccccc2COc2ccccc21 ZINC000027096302 372335224 /nfs/dbraw/zinc/33/52/24/372335224.db2.gz RVACZPAXUFAZHY-VHEBQXMUSA-N 0 3 280.371 2.978 10 30 CFEEHN COc1ccc(C[C@H](C)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061891868 373736959 /nfs/dbraw/zinc/73/69/59/373736959.db2.gz OQLSFHUPCAVHLH-BJJXKVORSA-N 0 3 258.365 2.908 10 30 CFEEHN CCCC(=O)N[C@@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000092708752 375142539 /nfs/dbraw/zinc/14/25/39/375142539.db2.gz QAYJRBDOCDVVQH-CQSZACIVSA-N 0 3 279.428 2.697 10 30 CFEEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(C#N)cc1 ZINC000176255553 380203045 /nfs/dbraw/zinc/20/30/45/380203045.db2.gz NWOUYOYWPREYRR-HNNXBMFYSA-N 0 3 286.379 2.506 10 30 CFEEHN CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCc2nccn2C1 ZINC000328621150 382556956 /nfs/dbraw/zinc/55/69/56/382556956.db2.gz AIHPRDFCRYBVTM-ZDUSSCGKSA-N 0 3 298.365 2.588 10 30 CFEEHN N#Cc1ccc(CN2CCN3CCCC[C@H]3C2)c(Cl)c1 ZINC000252941432 383439740 /nfs/dbraw/zinc/43/97/40/383439740.db2.gz ZVUZVASGSYSMHT-HNNXBMFYSA-N 0 3 289.810 2.882 10 30 CFEEHN Cc1nc(NC[C@H]2NCCc3ccccc32)ccc1C#N ZINC000261651539 383536443 /nfs/dbraw/zinc/53/64/43/383536443.db2.gz JUKURWHVTLORIJ-MRXNPFEDSA-N 0 3 278.359 2.561 10 30 CFEEHN Cc1cc(C)c(C#N)c(NC[C@H]2NCCc3ccccc32)n1 ZINC000262558225 383627422 /nfs/dbraw/zinc/62/74/22/383627422.db2.gz UQRZFBXLSKRSEL-QGZVFWFLSA-N 0 3 292.386 2.869 10 30 CFEEHN C[C@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000183130910 393517773 /nfs/dbraw/zinc/51/77/73/393517773.db2.gz OAUWRYGJCSVRMS-SWLSCSKDSA-N 0 3 263.768 2.849 10 30 CFEEHN C=CCN(Cc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000046054155 393576956 /nfs/dbraw/zinc/57/69/56/393576956.db2.gz AWTWKMRSSGVBIO-INIZCTEOSA-N 0 3 277.408 2.851 10 30 CFEEHN CN(C)CCN[C@H](C#N)c1ccc(Cl)cc1Cl ZINC000020177047 171042874 /nfs/dbraw/zinc/04/28/74/171042874.db2.gz PALPRHPRUSPAOU-GFCCVEGCSA-N 0 3 272.179 2.709 10 30 CFEEHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(CC)n1C ZINC000661118372 413769446 /nfs/dbraw/zinc/76/94/46/413769446.db2.gz ZQDCAXJSVHIZAC-OLZOCXBDSA-N 0 3 262.401 2.602 10 30 CFEEHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(CC)n1C ZINC000661118373 413770486 /nfs/dbraw/zinc/77/04/86/413770486.db2.gz ZQDCAXJSVHIZAC-QWHCGFSZSA-N 0 3 262.401 2.602 10 30 CFEEHN NCC#Cc1cccc(OCc2cccc(F)c2)c1 ZINC000037547986 173264621 /nfs/dbraw/zinc/26/46/21/173264621.db2.gz FEQSGHBXHKERQA-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN CCN[C@H](C)c1cnn(-c2cccc(C#N)c2)c1C ZINC000040932932 174436324 /nfs/dbraw/zinc/43/63/24/174436324.db2.gz QZPVUHAOULZHEA-LLVKDONJSA-N 0 3 254.337 2.723 10 30 CFEEHN C#CCOc1ccc2c(c1)OC(C)(C)C[C@H]2NCC ZINC000043460416 175051232 /nfs/dbraw/zinc/05/12/32/175051232.db2.gz SSGMBOSDKGXWEH-CQSZACIVSA-N 0 3 259.349 2.910 10 30 CFEEHN CN[C@H]1CC(C)(C)Oc2cc(O[C@@H](C)C#N)ccc21 ZINC000043513896 175061492 /nfs/dbraw/zinc/06/14/92/175061492.db2.gz OMXYZRHVYCNHGO-GWCFXTLKSA-N 0 3 260.337 2.799 10 30 CFEEHN CC[C@@H](C#N)Oc1ccc(Br)cc1CN ZINC000043538654 175063952 /nfs/dbraw/zinc/06/39/52/175063952.db2.gz WOIWIXXOFNDPCH-JTQLQIEISA-N 0 3 269.142 2.589 10 30 CFEEHN Cc1ccc(CN(C)Cc2ccc(C#CCN)s2)cc1 ZINC000043683581 175091885 /nfs/dbraw/zinc/09/18/85/175091885.db2.gz KTCNEZUBQYUNBU-UHFFFAOYSA-N 0 3 284.428 2.999 10 30 CFEEHN CCN(Cc1ccco1)Cc1ccc(C#CCN)s1 ZINC000043683994 175092000 /nfs/dbraw/zinc/09/20/00/175092000.db2.gz WGUGTXSGHQYBRL-UHFFFAOYSA-N 0 3 274.389 2.673 10 30 CFEEHN N#Cc1c(F)cccc1OCc1sccc1C#CCN ZINC000043685292 175093989 /nfs/dbraw/zinc/09/39/89/175093989.db2.gz KIBHMZOVYASGRB-UHFFFAOYSA-N 0 3 286.331 2.648 10 30 CFEEHN COc1cccc(OCc2cc(C#CCN)cs2)c1 ZINC000043689245 175096157 /nfs/dbraw/zinc/09/61/57/175096157.db2.gz ZGTKIXPSRYBAQR-UHFFFAOYSA-N 0 3 273.357 2.646 10 30 CFEEHN CCCNCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000044288248 175159730 /nfs/dbraw/zinc/15/97/30/175159730.db2.gz BNODMXMEJWXKLD-UHFFFAOYSA-N 0 3 291.420 2.827 10 30 CFEEHN C=CC[C@H](C(=O)N[C@@H]1CCCN(CC)C1)c1ccccc1 ZINC000189201697 264277546 /nfs/dbraw/zinc/27/75/46/264277546.db2.gz LJHJGJHJAWAATA-SJORKVTESA-N 0 3 286.419 2.947 10 30 CFEEHN N#Cc1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c(Cl)c1 ZINC000399046776 270325940 /nfs/dbraw/zinc/32/59/40/270325940.db2.gz JPIPTUYBECYEFZ-NWANDNLSSA-N 0 3 290.794 2.804 10 30 CFEEHN Cc1cc(N2CCN(C3CCCC3)CC2)c(C#N)c(C)n1 ZINC000133753950 274706578 /nfs/dbraw/zinc/70/65/78/274706578.db2.gz PGAMOZCWZAODPO-UHFFFAOYSA-N 0 3 284.407 2.635 10 30 CFEEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1CCCSCC#N ZINC000173887901 329153235 /nfs/dbraw/zinc/15/32/35/329153235.db2.gz LAZNJBGDYXHOOL-AWEZNQCLSA-N 0 3 292.452 2.821 10 30 CFEEHN C=CC[C@@H](C)[C@@H](C)[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263504315 330058148 /nfs/dbraw/zinc/05/81/48/330058148.db2.gz LOJYUMGRVQWKEA-KCNJBTMXSA-N 0 3 294.439 2.504 10 30 CFEEHN C=CC[C@@H](C)[C@@H](C)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263504315 330058150 /nfs/dbraw/zinc/05/81/50/330058150.db2.gz LOJYUMGRVQWKEA-KCNJBTMXSA-N 0 3 294.439 2.504 10 30 CFEEHN C=CC[C@@H](C)[C@@H](C)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263504315 330058152 /nfs/dbraw/zinc/05/81/52/330058152.db2.gz LOJYUMGRVQWKEA-KCNJBTMXSA-N 0 3 294.439 2.504 10 30 CFEEHN C=C(C)CN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000076007607 334066509 /nfs/dbraw/zinc/06/65/09/334066509.db2.gz VYOJXZBYWKMWKX-LBPRGKRZSA-N 0 3 254.374 2.552 10 30 CFEEHN C#CCOc1ccc(Br)cc1CN[C@H]1C[C@@H]1C ZINC000052273746 518321553 /nfs/dbraw/zinc/32/15/53/518321553.db2.gz GSNZZJKLBIKMGZ-GWCFXTLKSA-N 0 3 294.192 2.959 10 30 CFEEHN C(#Cc1ccccc1)CNCCOc1ccccc1 ZINC000051814363 518368440 /nfs/dbraw/zinc/36/84/40/518368440.db2.gz GHJFUEGBENBKCL-UHFFFAOYSA-N 0 3 251.329 2.707 10 30 CFEEHN CC(C)CCC[C@@H](C)NC(=O)c1ccc(C#CCN)cc1 ZINC000049148577 519645114 /nfs/dbraw/zinc/64/51/14/519645114.db2.gz CYWQARYZYUNUGQ-OAHLLOKOSA-N 0 3 286.419 2.941 10 30 CFEEHN CC(C)CC[C@@H](C)NC(=O)c1ccc(F)cc1C#CCN ZINC000069235774 519681626 /nfs/dbraw/zinc/68/16/26/519681626.db2.gz NFMNYXWUZTXTBZ-CYBMUJFWSA-N 0 3 290.382 2.690 10 30 CFEEHN CCC1CCN(Cc2ccc(OC)c(C#CCO)c2)CC1 ZINC000049614983 519859781 /nfs/dbraw/zinc/85/97/81/519859781.db2.gz JLCCBOVIOUEZOI-UHFFFAOYSA-N 0 3 287.403 2.661 10 30 CFEEHN CCC[C@H](C)N(C)Cc1cc(C#CCO)ccc1OC ZINC000049613215 521035368 /nfs/dbraw/zinc/03/53/68/521035368.db2.gz KAXJFVIDEXCPEE-AWEZNQCLSA-N 0 3 275.392 2.659 10 30 CFEEHN CC[C@@H](NC(=O)c1ccc(C#CCN)cc1)c1cccs1 ZINC000049533322 522780992 /nfs/dbraw/zinc/78/09/92/522780992.db2.gz OFAAYACNHIWEIX-OAHLLOKOSA-N 0 3 298.411 2.939 10 30 CFEEHN CC[C@H]1CCCN(Cc2ccc(F)c(C#CCO)c2)C1 ZINC000049613085 523091251 /nfs/dbraw/zinc/09/12/51/523091251.db2.gz UPBPCZUSAHFGBB-AWEZNQCLSA-N 0 3 275.367 2.792 10 30 CFEEHN CC[C@@H]1CCCN(Cc2cc(C#CCO)ccc2OC)C1 ZINC000049613053 523249699 /nfs/dbraw/zinc/24/96/99/523249699.db2.gz CBLSIFBXIMNWJX-OAHLLOKOSA-N 0 3 287.403 2.661 10 30 CFEEHN CC[C@@H]1CCCN(Cc2ccc(C#CCO)cc2F)C1 ZINC000049613062 523253114 /nfs/dbraw/zinc/25/31/14/523253114.db2.gz BROGWAPFZRTRTR-CQSZACIVSA-N 0 3 275.367 2.792 10 30 CFEEHN CN(Cc1ccsc1)Cc1ccc(F)c(C#CCN)c1 ZINC000049609108 523483847 /nfs/dbraw/zinc/48/38/47/523483847.db2.gz LQDXCSLYRTWGBF-UHFFFAOYSA-N 0 3 288.391 2.829 10 30 CFEEHN COc1ccc(C#CCN)cc1COCCCC(C)C ZINC000049610941 523515247 /nfs/dbraw/zinc/51/52/47/523515247.db2.gz VNFIUPZHUWHCIH-UHFFFAOYSA-N 0 3 275.392 2.958 10 30 CFEEHN COc1ccc(C#CCO)cc1CN1CCC(C)(C)CC1 ZINC000061821313 523516511 /nfs/dbraw/zinc/51/65/11/523516511.db2.gz PLGRNHYAHPQRRO-UHFFFAOYSA-N 0 3 287.403 2.661 10 30 CFEEHN COc1ccc(C#CCN)cc1COc1ccccc1 ZINC000049610525 523517395 /nfs/dbraw/zinc/51/73/95/523517395.db2.gz WSCXHFBPSIBQGU-UHFFFAOYSA-N 0 3 267.328 2.584 10 30 CFEEHN CCc1c(C)nn(Cc2ccc(F)cc2C#CCN)c1C ZINC000049610260 523716342 /nfs/dbraw/zinc/71/63/42/523716342.db2.gz IQTAAJSRFKIXAC-UHFFFAOYSA-N 0 3 285.366 2.560 10 30 CFEEHN COc1ccc(COc2ccccc2C)cc1C#CCN ZINC000049610507 524121490 /nfs/dbraw/zinc/12/14/90/524121490.db2.gz RQEYYDQBULTMFX-UHFFFAOYSA-N 0 3 281.355 2.893 10 30 CFEEHN Cc1cccc(CN(C)Cc2ccccc2C#CCO)c1 ZINC000049615090 524374931 /nfs/dbraw/zinc/37/49/31/524374931.db2.gz LKFWQCKZIANFIR-UHFFFAOYSA-N 0 3 279.383 2.971 10 30 CFEEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1cc(C#N)ccc1F ZINC000083704538 525083012 /nfs/dbraw/zinc/08/30/12/525083012.db2.gz DZSZYMCKLXWQCM-CZUORRHYSA-N 0 3 287.382 2.756 10 30 CFEEHN C[C@@H](NC(=O)c1ccsc1)c1ccc(C#CCN)cc1 ZINC000049586756 525369695 /nfs/dbraw/zinc/36/96/95/525369695.db2.gz GNNFFZASRYNNSS-GFCCVEGCSA-N 0 3 284.384 2.549 10 30 CFEEHN Cc1ccsc1C(=O)N(C)Cc1ccccc1C#CCN ZINC000049586855 525817135 /nfs/dbraw/zinc/81/71/35/525817135.db2.gz CXHNDSZTADQEED-UHFFFAOYSA-N 0 3 298.411 2.639 10 30 CFEEHN Cc1ccc(C(=O)N[C@H](C)c2ccc(C#CCN)cc2)s1 ZINC000049586776 526210764 /nfs/dbraw/zinc/21/07/64/526210764.db2.gz STPBRQIYSBSRTP-CYBMUJFWSA-N 0 3 298.411 2.858 10 30 CFEEHN NCC#Cc1ccc(CN2CCCc3ccccc32)cc1 ZINC000049608699 527148386 /nfs/dbraw/zinc/14/83/86/527148386.db2.gz DCPHSXUHMOHFDP-UHFFFAOYSA-N 0 3 276.383 2.950 10 30 CFEEHN NCC#Cc1ccc(COCCc2cccs2)c(F)c1 ZINC000049611180 527150097 /nfs/dbraw/zinc/15/00/97/527150097.db2.gz NXRLIOPDUOTHRJ-UHFFFAOYSA-N 0 3 289.375 2.957 10 30 CFEEHN NCC#Cc1ccccc1COc1ccccc1F ZINC000049610446 527154731 /nfs/dbraw/zinc/15/47/31/527154731.db2.gz QXQWOIGAPKTMCN-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN Cc1nccn1C[C@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192058496 527449223 /nfs/dbraw/zinc/44/92/23/527449223.db2.gz GCMYPYCCOXSBEM-MRXNPFEDSA-N 0 3 298.365 2.867 10 30 CFEEHN OCC#Cc1ccc(CN2CCCCCCC2)c(F)c1 ZINC000049617068 527518998 /nfs/dbraw/zinc/51/89/98/527518998.db2.gz WPZIRLWKMWQGKT-UHFFFAOYSA-N 0 3 275.367 2.936 10 30 CFEEHN CC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000165693047 622995095 /nfs/dbraw/zinc/99/50/95/622995095.db2.gz MITVETZQAMWYQP-MRXNPFEDSA-N 0 3 256.349 2.668 10 30 CFEEHN C=C(C)CN1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000101731440 625872046 /nfs/dbraw/zinc/87/20/46/625872046.db2.gz LGHHYCXNBKYXND-CYBMUJFWSA-N 0 3 268.401 2.942 10 30 CFEEHN C[C@@H](NCCO[C@@H](C)C#N)c1ccc(Cl)s1 ZINC000304206221 651016419 /nfs/dbraw/zinc/01/64/19/651016419.db2.gz CXPQSCJNYKDSDT-DTWKUNHWSA-N 0 3 258.774 2.981 10 30 CFEEHN C#CCOc1ccc(CN2CCS[C@H](C)C2)cc1 ZINC000131379865 645716352 /nfs/dbraw/zinc/71/63/52/645716352.db2.gz YUTUBLPQTIAWAQ-CYBMUJFWSA-N 0 3 261.390 2.636 10 30 CFEEHN CCc1ccc([C@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000123182852 347818469 /nfs/dbraw/zinc/81/84/69/347818469.db2.gz MGJRUMXDNBWJKN-SCLBCKFNSA-N 0 3 299.418 2.708 10 30 CFEEHN CC#CC[C@H](NC)c1ccc(Br)cn1 ZINC000133151202 347889788 /nfs/dbraw/zinc/88/97/88/347889788.db2.gz RRAUSZRFTOYCMV-JTQLQIEISA-N 0 3 253.143 2.518 10 30 CFEEHN C#CC[C@H](NC)c1ccc(F)c(Br)c1 ZINC000169238532 348050210 /nfs/dbraw/zinc/05/02/10/348050210.db2.gz FNXJTMABQYXGEF-NSHDSACASA-N 0 3 256.118 2.872 10 30 CFEEHN CCC[C@H](N)C#Cc1cscc1Br ZINC000229905170 348203820 /nfs/dbraw/zinc/20/38/20/348203820.db2.gz SJUMEYWILHZZRG-VIFPVBQESA-N 0 3 258.184 2.990 10 30 CFEEHN C=CCCC[C@@H](C)NC(=O)N(C)C[C@@H]1CCCN1CC ZINC000246012219 348260312 /nfs/dbraw/zinc/26/03/12/348260312.db2.gz YPOBUDUCWLUXMV-CABCVRRESA-N 0 3 281.444 2.857 10 30 CFEEHN C=C(C)[C@H](N)c1sccc1I ZINC000307417392 348399210 /nfs/dbraw/zinc/39/92/10/348399210.db2.gz OLPGCACRPBQYQI-ZETCQYMHSA-N 0 3 279.146 2.929 10 30 CFEEHN Cc1ccc(S(=O)(=O)O[C@H]2CCCC[C@H]2N(C)C)cc1 ZINC000584601543 348685773 /nfs/dbraw/zinc/68/57/73/348685773.db2.gz XGIDNKYKUHPTQG-CABCVRRESA-N 0 3 297.420 2.573 10 30 CFEEHN C[NH+](C)CCC/N=C/c1cc(Br)ccc1[O-] ZINC000584621928 348692773 /nfs/dbraw/zinc/69/27/73/348692773.db2.gz ZATPOXMBPROHKV-NTEUORMPSA-N 0 3 285.185 2.525 10 30 CFEEHN CCC(CC)[C@H](C)NC(=O)c1ccc(C#CCN)s1 ZINC000104434662 186001595 /nfs/dbraw/zinc/00/15/95/186001595.db2.gz RRNKJXHXQLMIOH-NSHDSACASA-N 0 3 278.421 2.613 10 30 CFEEHN Cc1nccn1C[C@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000154542425 188148569 /nfs/dbraw/zinc/14/85/69/188148569.db2.gz WMMGPNXQVNMUIM-GOSISDBHSA-N 0 3 297.377 2.847 10 30 CFEEHN C=CC[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000189094917 189522413 /nfs/dbraw/zinc/52/24/13/189522413.db2.gz SCGFJJCEDKCMID-HZPDHXFCSA-N 0 3 272.392 2.509 10 30 CFEEHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(CC)cc1 ZINC000037978086 372746405 /nfs/dbraw/zinc/74/64/05/372746405.db2.gz GDXXGUUOHNSLPH-CHWSQXEVSA-N 0 3 260.381 2.590 10 30 CFEEHN C#CCOc1ccc(Cl)cc1CNCCCOCC ZINC000045945717 373039267 /nfs/dbraw/zinc/03/92/67/373039267.db2.gz XJVMRPBZXAPZLT-UHFFFAOYSA-N 0 3 281.783 2.868 10 30 CFEEHN N#CC(C(=O)c1ccc(F)cc1F)c1ccccn1 ZINC000095082357 375408110 /nfs/dbraw/zinc/40/81/10/375408110.db2.gz YQVNMKQWRDWBNV-LLVKDONJSA-N 0 3 258.227 2.850 10 30 CFEEHN C=CCOc1cccc(CN2CCN3CCCC[C@@H]3C2)c1 ZINC000121306964 376802112 /nfs/dbraw/zinc/80/21/12/376802112.db2.gz OEJJDXXPCSSUIB-QGZVFWFLSA-N 0 3 286.419 2.922 10 30 CFEEHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(C)o2)CC1 ZINC000171701534 379377862 /nfs/dbraw/zinc/37/78/62/379377862.db2.gz IXTCJGMALPMXBY-CYBMUJFWSA-N 0 3 291.395 2.599 10 30 CFEEHN C#Cc1cccc(NC(=O)N(C)C[C@H]2CCCN2CC)c1 ZINC000176285435 380208609 /nfs/dbraw/zinc/20/86/09/380208609.db2.gz BWGHEKCOQSQZQQ-MRXNPFEDSA-N 0 3 285.391 2.616 10 30 CFEEHN N#Cc1cccc(CN2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000227360956 382836786 /nfs/dbraw/zinc/83/67/86/382836786.db2.gz FCNANJVGYKBAPO-DLBZAZTESA-N 0 3 270.376 2.685 10 30 CFEEHN C[C@H](c1cccc(C#N)c1)N1CCN2CCCC[C@@H]2C1 ZINC000187663500 393556246 /nfs/dbraw/zinc/55/62/46/393556246.db2.gz HLAGHGOMJMFCHQ-RHSMWYFYSA-N 0 3 269.392 2.789 10 30 CFEEHN CN(C)C[C@H](NC(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000007817355 170304265 /nfs/dbraw/zinc/30/42/65/170304265.db2.gz IDJMKXWHZWUEGA-KRWDZBQOSA-N 0 3 293.370 2.591 10 30 CFEEHN C#CCN[C@H](C)c1ccc(I)cc1 ZINC000037184852 173016476 /nfs/dbraw/zinc/01/64/76/173016476.db2.gz DEMRVYMWCIPVNG-SECBINFHSA-N 0 3 285.128 2.575 10 30 CFEEHN C=C(Cl)CNCCc1ccc(OC)c(OC)c1 ZINC000037488790 173230945 /nfs/dbraw/zinc/23/09/45/173230945.db2.gz VUYUSWFRBVRNKP-UHFFFAOYSA-N 0 3 255.745 2.588 10 30 CFEEHN CNCc1cc(-c2cccc(C#N)c2)ccc1OC ZINC000038070607 174081349 /nfs/dbraw/zinc/08/13/49/174081349.db2.gz JWEZFNPDPQPJOT-UHFFFAOYSA-N 0 3 252.317 2.953 10 30 CFEEHN Cc1ccc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)o1 ZINC000038097545 174111210 /nfs/dbraw/zinc/11/12/10/174111210.db2.gz SODNCYPZDUXABT-DOMZBBRYSA-N 0 3 270.332 2.844 10 30 CFEEHN N#Cc1c(NC(=O)CNC2CCCC2)sc2c1CCC2 ZINC000040415478 174255757 /nfs/dbraw/zinc/25/57/57/174255757.db2.gz IEBXNHRQUNTOCI-UHFFFAOYSA-N 0 3 289.404 2.579 10 30 CFEEHN NCC#Cc1cc(F)ccc1OCc1cc(F)ccc1F ZINC000043459912 175050719 /nfs/dbraw/zinc/05/07/19/175050719.db2.gz SDYNKRPGECYOMC-UHFFFAOYSA-N 0 3 291.272 2.993 10 30 CFEEHN CCN(C(=O)c1ccc(C#CCN)c(F)c1)C1CCCC1 ZINC000043582854 175070019 /nfs/dbraw/zinc/07/00/19/175070019.db2.gz TWJQFAWITMGDRA-UHFFFAOYSA-N 0 3 288.366 2.541 10 30 CFEEHN CCCCC[C@@H](C)NC(=O)c1ccc(C#CCN)c(F)c1 ZINC000043583081 175070571 /nfs/dbraw/zinc/07/05/71/175070571.db2.gz ZYORXURURJXAFD-CYBMUJFWSA-N 0 3 290.382 2.835 10 30 CFEEHN CCN(Cc1ccco1)Cc1cc(C#CCN)cs1 ZINC000043689018 175095325 /nfs/dbraw/zinc/09/53/25/175095325.db2.gz MXXNPXURLNXXTB-UHFFFAOYSA-N 0 3 274.389 2.673 10 30 CFEEHN Cc1ccccc1OCc1cc(C#CCN)cs1 ZINC000043689257 175096174 /nfs/dbraw/zinc/09/61/74/175096174.db2.gz DGXUKJOHZUJMCM-UHFFFAOYSA-N 0 3 257.358 2.946 10 30 CFEEHN CCCN(Cc1cc(C#CCN)cs1)CC(F)(F)F ZINC000043689135 175096231 /nfs/dbraw/zinc/09/62/31/175096231.db2.gz IQJXGLIZDHYCNJ-UHFFFAOYSA-N 0 3 290.354 2.833 10 30 CFEEHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CCCN1CC ZINC000188480353 262299130 /nfs/dbraw/zinc/29/91/30/262299130.db2.gz DKPMJTHYXMSMPP-HIFRSBDPSA-N 0 3 252.402 2.531 10 30 CFEEHN C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCC[C@@H]1C#N ZINC000061891427 262405716 /nfs/dbraw/zinc/40/57/16/262405716.db2.gz STLODHISJGSJCT-XNRPHZJLSA-N 0 3 258.365 2.995 10 30 CFEEHN N#Cc1ccc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC000399046777 270325427 /nfs/dbraw/zinc/32/54/27/270325427.db2.gz JPIPTUYBECYEFZ-QEJZJMRPSA-N 0 3 290.794 2.804 10 30 CFEEHN C=CCNC(=O)CN[C@H]1c2ccccc2CCC1(C)C ZINC000183129394 327758061 /nfs/dbraw/zinc/75/80/61/327758061.db2.gz AOLIXRJMAMYVLD-INIZCTEOSA-N 0 3 272.392 2.592 10 30 CFEEHN COc1ccc2c(c1)C[C@H](N[C@H]1CCC[C@@H]1C#N)CC2 ZINC000129548470 327156348 /nfs/dbraw/zinc/15/63/48/327156348.db2.gz AWZAZZVSLJYBJP-UNEWFSDZSA-N 0 3 270.376 2.834 10 30 CFEEHN COc1ccc(C[C@H](C)N[C@H]2CCC[C@H]2C#N)cc1OC ZINC000250968324 334354121 /nfs/dbraw/zinc/35/41/21/334354121.db2.gz DAVOCTOUZXQCEK-QEJZJMRPSA-N 0 3 288.391 2.917 10 30 CFEEHN C=CCCCCCN1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000193336211 333248366 /nfs/dbraw/zinc/24/83/66/333248366.db2.gz MGXBJYLUYRKRAT-CVEARBPZSA-N 0 3 268.445 2.510 10 30 CFEEHN CCCN(CC)Cc1ccc(C#CCCO)cc1F ZINC000049617318 521613550 /nfs/dbraw/zinc/61/35/50/521613550.db2.gz WISANUDHHYKORJ-UHFFFAOYSA-N 0 3 263.356 2.792 10 30 CFEEHN CC[C@@H](C)N(CC)Cc1cc(C#CCO)ccc1OC ZINC000049617598 522084471 /nfs/dbraw/zinc/08/44/71/522084471.db2.gz YFGMYJYYUIUDRP-CQSZACIVSA-N 0 3 275.392 2.659 10 30 CFEEHN C#CCOc1ccc(Br)cc1CN[C@H]1C[C@H]1C ZINC000052273744 518321103 /nfs/dbraw/zinc/32/11/03/518321103.db2.gz GSNZZJKLBIKMGZ-MFKMUULPSA-N 0 3 294.192 2.959 10 30 CFEEHN CC(C)(C)NCc1nccn1Cc1cc(C#N)ccc1F ZINC000051015508 518768850 /nfs/dbraw/zinc/76/88/50/518768850.db2.gz XGIICIDHDIVILR-UHFFFAOYSA-N 0 3 286.354 2.830 10 30 CFEEHN CC(C)C[C@H](CN(C)C)NCc1cc(C#N)ccc1F ZINC000049555979 519342305 /nfs/dbraw/zinc/34/23/05/519342305.db2.gz XHZWIEXQMOFNHK-OAHLLOKOSA-N 0 3 277.387 2.763 10 30 CFEEHN CCCCCC(=O)N[C@@H](C)c1ccc(C#CCN)cc1 ZINC000049586711 519932052 /nfs/dbraw/zinc/93/20/52/519932052.db2.gz DSXIXYXPOPZHIP-AWEZNQCLSA-N 0 3 272.392 2.754 10 30 CFEEHN CCCCC[C@@H](C)NC(=O)c1ccc(C#CCN)s1 ZINC000049105973 520286996 /nfs/dbraw/zinc/28/69/96/520286996.db2.gz YQQKRSDJCMNUHG-GFCCVEGCSA-N 0 3 278.421 2.757 10 30 CFEEHN CCC[C@@H](C)N(C)Cc1ccc(C#CCO)cc1F ZINC000049613219 520646622 /nfs/dbraw/zinc/64/66/22/520646622.db2.gz BWNNZWZHYIMQPJ-CYBMUJFWSA-N 0 3 263.356 2.790 10 30 CFEEHN CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1C#CCN ZINC000049124751 523197307 /nfs/dbraw/zinc/19/73/07/523197307.db2.gz CAVDVQKHPMCLOH-PBHICJAKSA-N 0 3 284.403 2.695 10 30 CFEEHN CN(Cc1ccc(C#CCN)cc1)C(=O)C1CCCCC1 ZINC000049586595 523203478 /nfs/dbraw/zinc/20/34/78/523203478.db2.gz MMRLDXFUOGOFAV-UHFFFAOYSA-N 0 3 284.403 2.536 10 30 CFEEHN COc1ccc(C#CCO)cc1CN1[C@H](C)CCC[C@@H]1C ZINC000049616901 523519574 /nfs/dbraw/zinc/51/95/74/523519574.db2.gz UMFASMUXERUDQZ-GASCZTMLSA-N 0 3 287.403 2.802 10 30 CFEEHN COc1ccc(CN2CCCC[C@@H]2C)cc1C#CCCO ZINC000049615706 524027047 /nfs/dbraw/zinc/02/70/47/524027047.db2.gz QCCHUTGLTSOITQ-HNNXBMFYSA-N 0 3 287.403 2.804 10 30 CFEEHN COc1ccc(CN2CCC[C@@H](C)C2)cc1C#CCCO ZINC000049616013 524028101 /nfs/dbraw/zinc/02/81/01/524028101.db2.gz WDODFZBBHZOEGP-OAHLLOKOSA-N 0 3 287.403 2.661 10 30 CFEEHN C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(C#CCN)cc2)C1 ZINC000049017866 524388325 /nfs/dbraw/zinc/38/83/25/524388325.db2.gz ZNBMIXVSIIGEMH-PBHICJAKSA-N 0 3 284.403 2.648 10 30 CFEEHN C[C@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCCO1 ZINC000162617782 525437552 /nfs/dbraw/zinc/43/75/52/525437552.db2.gz CBLXZJNDKUITAJ-HZMBPMFUSA-N 0 3 264.756 2.869 10 30 CFEEHN Cc1nn(Cc2ccc(C#CCN)s2)c(C)c1Cl ZINC000050587875 526287766 /nfs/dbraw/zinc/28/77/66/526287766.db2.gz NMBVBQBNRUMKTG-UHFFFAOYSA-N 0 3 279.796 2.573 10 30 CFEEHN Cc1nn(Cc2ccccc2C#CCN)c(C)c1Cl ZINC000050587879 526295995 /nfs/dbraw/zinc/29/59/95/526295995.db2.gz JMFGTFHTKKLKCS-UHFFFAOYSA-N 0 3 273.767 2.512 10 30 CFEEHN NCC#Cc1ccc(COc2ccc(F)cc2F)c(F)c1 ZINC000049610387 527149793 /nfs/dbraw/zinc/14/97/93/527149793.db2.gz IPIKCQSFFLZTTB-UHFFFAOYSA-N 0 3 291.272 2.993 10 30 CFEEHN NCC#Cc1ccc(CSc2ccccn2)cc1 ZINC000049611379 527150020 /nfs/dbraw/zinc/15/00/20/527150020.db2.gz VMVPBDORXMEWLO-UHFFFAOYSA-N 0 3 254.358 2.684 10 30 CFEEHN NCC#Cc1cccc(COCc2ccccc2)c1 ZINC000049610348 527153370 /nfs/dbraw/zinc/15/33/70/527153370.db2.gz QGDCJNIGEZTSJJ-UHFFFAOYSA-N 0 3 251.329 2.714 10 30 CFEEHN Cc1nc2ccccc2n1Cc1ccccc1C#CCN ZINC000049610027 527171534 /nfs/dbraw/zinc/17/15/34/527171534.db2.gz GRPKWNXYIXRYMW-UHFFFAOYSA-N 0 3 275.355 2.703 10 30 CFEEHN CO[C@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000069952363 625250446 /nfs/dbraw/zinc/25/04/46/625250446.db2.gz YBIQQNIYCMNOFT-CJNGLKHVSA-N 0 3 266.300 2.646 10 30 CFEEHN CO[C@H](CN[C@H]1CCCC[C@H]1C#N)C1CCCC1 ZINC000595687407 349700511 /nfs/dbraw/zinc/70/05/11/349700511.db2.gz CKPSYTQSYVTLGM-SOUVJXGZSA-N 0 3 250.386 2.864 10 30 CFEEHN C=CCNC(=O)[C@@H](C)N[C@@H](CCC)c1cccs1 ZINC000049545069 122271575 /nfs/dbraw/zinc/27/15/75/122271575.db2.gz YFAUBDJXKBVQQQ-NEPJUHHUSA-N 0 3 266.410 2.870 10 30 CFEEHN C=CCN(CC=C)C[C@H](O)COc1cccc2c1CCC2 ZINC000033856426 346312905 /nfs/dbraw/zinc/31/29/05/346312905.db2.gz DOROOFWHTQYTAZ-INIZCTEOSA-N 0 3 287.403 2.589 10 30 CFEEHN C=C(C)[C@@H](N)c1csc(I)c1 ZINC000131491689 347878752 /nfs/dbraw/zinc/87/87/52/347878752.db2.gz OSVQWDQFOTYICR-MRVPVSSYSA-N 0 3 279.146 2.929 10 30 CFEEHN CCC[C@@H](N)C#Cc1cscc1Br ZINC000229905163 348204022 /nfs/dbraw/zinc/20/40/22/348204022.db2.gz SJUMEYWILHZZRG-SECBINFHSA-N 0 3 258.184 2.990 10 30 CFEEHN CC(C)[C@H](N)C#Cc1sccc1Br ZINC000300830831 348370148 /nfs/dbraw/zinc/37/01/48/348370148.db2.gz CABOZIUFEMXXRN-SECBINFHSA-N 0 3 258.184 2.845 10 30 CFEEHN N#C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000309847919 348408040 /nfs/dbraw/zinc/40/80/40/348408040.db2.gz YVDLBFSGDJCBBP-BZSNNMDCSA-N 0 3 283.419 2.933 10 30 CFEEHN CC#CC[C@@H](N)c1sccc1I ZINC000307591227 348400890 /nfs/dbraw/zinc/40/08/90/348400890.db2.gz CELZAJLCDRHAHP-MRVPVSSYSA-N 0 3 291.157 2.766 10 30 CFEEHN CCCCCCCN1CCN2C(=O)N(CC)CC[C@H]2C1 ZINC000584640062 348699417 /nfs/dbraw/zinc/69/94/17/348699417.db2.gz IXXXCNRSGWGIGM-HNNXBMFYSA-N 0 3 281.444 2.789 10 30 CFEEHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cccc(Cl)c1 ZINC000594425389 349416654 /nfs/dbraw/zinc/41/66/54/349416654.db2.gz IAGJHIGEUWKYEM-FZMZJTMJSA-N 0 3 293.798 2.928 10 30 CFEEHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1Cl ZINC000594427649 349419072 /nfs/dbraw/zinc/41/90/72/349419072.db2.gz VUORIHOBIQQCCP-BXUZGUMPSA-N 0 3 293.798 2.928 10 30 CFEEHN CCN1CCC[C@@H]1CN(C)Cc1ccc(C#N)s1 ZINC000123431311 187091464 /nfs/dbraw/zinc/09/14/64/187091464.db2.gz XNHLVIHPXZJZSJ-GFCCVEGCSA-N 0 3 263.410 2.536 10 30 CFEEHN N#CC1(c2ccccc2Br)CCNCC1 ZINC000091473530 283049615 /nfs/dbraw/zinc/04/96/15/283049615.db2.gz ZRSTUVMHCAXWPM-UHFFFAOYSA-N 0 3 265.154 2.594 10 30 CFEEHN C=CCN1CCC(NC(=O)N[C@H](C)c2cccs2)CC1 ZINC000171699617 188754199 /nfs/dbraw/zinc/75/41/99/188754199.db2.gz XMEZNTGMRSYHAD-GFCCVEGCSA-N 0 3 293.436 2.759 10 30 CFEEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000178319779 189106954 /nfs/dbraw/zinc/10/69/54/189106954.db2.gz USPAQYGLUAKIOW-KRWDZBQOSA-N 0 3 280.375 2.728 10 30 CFEEHN Cc1cc(NCCN2CCCC[C@@H]2C)c(C#N)c(C)n1 ZINC000301797340 201204600 /nfs/dbraw/zinc/20/46/00/201204600.db2.gz UIXSJMGRGZOUTE-ZDUSSCGKSA-N 0 3 272.396 2.856 10 30 CFEEHN COCCCC/C(=N\OCCN)c1ccc(Cl)cc1 ZINC000014953683 372075519 /nfs/dbraw/zinc/07/55/19/372075519.db2.gz XXPVSQRPGBUFKM-SAPNQHFASA-N 0 3 284.787 2.836 10 30 in-vitro CFEEHN SCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000034399454 372508202 /nfs/dbraw/zinc/50/82/02/372508202.db2.gz WRWUYTAXODZABY-UHFFFAOYSA-N 0 3 270.829 2.782 10 30 CFEEHN C=CCN(CCc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000062364265 373758897 /nfs/dbraw/zinc/75/88/97/373758897.db2.gz MHXUCKZPKJBTNT-KRWDZBQOSA-N 0 3 291.435 2.893 10 30 CFEEHN N#Cc1ccc(N2CCN3CCCC[C@@H]3C2)cc1Cl ZINC000083420594 374744274 /nfs/dbraw/zinc/74/42/74/374744274.db2.gz GWIVFVQDVOFQDC-CQSZACIVSA-N 0 3 275.783 2.886 10 30 CFEEHN C=CCOc1ccccc1CNC[C@H]1CCC[C@H]1O ZINC000089161262 374879449 /nfs/dbraw/zinc/87/94/49/374879449.db2.gz OLAHDVLOENDQRG-UKRRQHHQSA-N 0 3 261.365 2.502 10 30 CFEEHN N#Cc1csc(CN2CC[C@H](CNc3ccccn3)C2)c1 ZINC000092812892 375160071 /nfs/dbraw/zinc/16/00/71/375160071.db2.gz TYIWHKUJBBOKDE-CYBMUJFWSA-N 0 3 298.415 2.949 10 30 CFEEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000121677712 376881932 /nfs/dbraw/zinc/88/19/32/376881932.db2.gz WMXXITXEZUUEBQ-INIZCTEOSA-N 0 3 298.365 2.867 10 30 CFEEHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000187696406 382249854 /nfs/dbraw/zinc/24/98/54/382249854.db2.gz OHZIZLXOUIEXKR-CJNGLKHVSA-N 0 3 280.375 2.842 10 30 CFEEHN N#Cc1c(F)cccc1NC(=N)NCc1ccccc1 ZINC000306441470 382456251 /nfs/dbraw/zinc/45/62/51/382456251.db2.gz STVZBBZIQPULPN-UHFFFAOYSA-N 0 3 268.295 2.834 10 30 CFEEHN C[C@@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000183130927 393517461 /nfs/dbraw/zinc/51/74/61/393517461.db2.gz OAUWRYGJCSVRMS-IUODEOHRSA-N 0 3 263.768 2.849 10 30 CFEEHN CC[C@@H](C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000037386327 173169068 /nfs/dbraw/zinc/16/90/68/173169068.db2.gz ZXBIBLBFUTVDMB-SECBINFHSA-N 0 3 265.744 2.538 10 30 CFEEHN NCC#Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000037547948 173264654 /nfs/dbraw/zinc/26/46/54/173264654.db2.gz APTWXEPDUKXZBH-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN Cc1ccc(OCc2ccccc2)c(C#CCN)c1 ZINC000037548026 173264968 /nfs/dbraw/zinc/26/49/68/173264968.db2.gz SNQQTAMGZXKGGG-UHFFFAOYSA-N 0 3 251.329 2.884 10 30 CFEEHN CCC[C@@](C)(N)C(=O)Nc1cc(Cl)ccc1C#N ZINC000037621923 173572768 /nfs/dbraw/zinc/57/27/68/173572768.db2.gz ZEVGRWIAZMWQIQ-CYBMUJFWSA-N 0 3 265.744 2.668 10 30 CFEEHN CC(C)(C)[C@H](N)C(=O)Nc1cc(Cl)ccc1C#N ZINC000040462637 174271487 /nfs/dbraw/zinc/27/14/87/174271487.db2.gz KRIOTOZTYUAELR-LLVKDONJSA-N 0 3 265.744 2.524 10 30 CFEEHN CC(C)(C)CC(C)(C)NC(=O)c1cccc(C#CCN)c1 ZINC000043438586 175045973 /nfs/dbraw/zinc/04/59/73/175045973.db2.gz PFWJXXJMJFIBDD-UHFFFAOYSA-N 0 3 286.419 2.941 10 30 CFEEHN C[C@@H](C#N)Oc1ccc(Br)cc1CNC1CC1 ZINC000043513437 175061637 /nfs/dbraw/zinc/06/16/37/175061637.db2.gz WOEONHFTSKHLKR-VIFPVBQESA-N 0 3 295.180 2.992 10 30 CFEEHN CC[C@@H]1CCCN(Cc2ccc(C#CCO)s2)C1 ZINC000043677845 175089265 /nfs/dbraw/zinc/08/92/65/175089265.db2.gz ARSQBCKTPNFNLN-CYBMUJFWSA-N 0 3 263.406 2.714 10 30 CFEEHN C[C@H]1CCCN(Cc2ccc(C#CCCO)s2)C1 ZINC000043678889 175089718 /nfs/dbraw/zinc/08/97/18/175089718.db2.gz WGMMWNCKBHAPHM-ZDUSSCGKSA-N 0 3 263.406 2.714 10 30 CFEEHN CC1CCN(Cc2sccc2C#CCCO)CC1 ZINC000043678791 175089913 /nfs/dbraw/zinc/08/99/13/175089913.db2.gz JRYLNYSCDGWFHV-UHFFFAOYSA-N 0 3 263.406 2.714 10 30 CFEEHN Cc1cccc(CN(C)Cc2sccc2C#CCN)c1 ZINC000043684055 175092253 /nfs/dbraw/zinc/09/22/53/175092253.db2.gz DRJAOOJRFLKWAR-UHFFFAOYSA-N 0 3 284.428 2.999 10 30 CFEEHN Cc1nc2ccccc2n1Cc1sccc1C#CCN ZINC000043684330 175092823 /nfs/dbraw/zinc/09/28/23/175092823.db2.gz RMRUBNIMCZDTFZ-UHFFFAOYSA-N 0 3 281.384 2.765 10 30 CFEEHN CCCN(Cc1ccc(C#CCN)s1)CC(F)(F)F ZINC000043684267 175093221 /nfs/dbraw/zinc/09/32/21/175093221.db2.gz VMOTYLRCHQBWDQ-UHFFFAOYSA-N 0 3 290.354 2.833 10 30 CFEEHN Cc1nnc(SCc2ccc(C#CCN)s2)s1 ZINC000043685837 175093778 /nfs/dbraw/zinc/09/37/78/175093778.db2.gz VCILYHFKYSDHAQ-UHFFFAOYSA-N 0 3 281.431 2.511 10 30 CFEEHN C[C@H](CN1CCCC1)Nc1nc2c(cc1C#N)CCCC2 ZINC000044420063 175173588 /nfs/dbraw/zinc/17/35/88/175173588.db2.gz AUWOSYQITIXHAB-CYBMUJFWSA-N 0 3 284.407 2.728 10 30 CFEEHN N#Cc1cccc(CNC2=NC[C@@H](C3CC3)S2)c1 ZINC000071307958 176116016 /nfs/dbraw/zinc/11/60/16/176116016.db2.gz PVPMFYFZUIJMFD-ZDUSSCGKSA-N 0 3 257.362 2.529 10 30 CFEEHN CC[C@@H](C)N1C(=O)c2ccc(N(C)C)cc2C1C#N ZINC000071679088 176243506 /nfs/dbraw/zinc/24/35/06/176243506.db2.gz ICBYCYVRJOGXCU-YGRLFVJLSA-N 0 3 257.337 2.572 10 30 CFEEHN C=CCC1(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CCC1 ZINC000189261254 329379074 /nfs/dbraw/zinc/37/90/74/329379074.db2.gz ZIOFHNZLPWPPRL-KGLIPLIRSA-N 0 3 264.413 2.578 10 30 CFEEHN CC[C@@H](C)CN(C)Cc1cc(C#CCO)ccc1OC ZINC000049617895 521971726 /nfs/dbraw/zinc/97/17/26/521971726.db2.gz OZCDAKXNYGXULM-CQSZACIVSA-N 0 3 275.392 2.517 10 30 CFEEHN C#CCOc1ccc(Br)cc1CN[C@@H]1C[C@H]1C ZINC000052273749 518321533 /nfs/dbraw/zinc/32/15/33/518321533.db2.gz GSNZZJKLBIKMGZ-ZWNOBZJWSA-N 0 3 294.192 2.959 10 30 CFEEHN C=C(Br)CNCCCOc1ccccc1 ZINC000052092320 518583712 /nfs/dbraw/zinc/58/37/12/518583712.db2.gz GZFBHKMGUABBAI-UHFFFAOYSA-N 0 3 270.170 2.954 10 30 CFEEHN CC(C)(C)C(=O)Nc1cc(C#CCN)ccc1Cl ZINC000061691971 518588304 /nfs/dbraw/zinc/58/83/04/518588304.db2.gz MOJUJEWZIUNNDB-UHFFFAOYSA-N 0 3 264.756 2.635 10 30 CFEEHN CC(C)CCC[C@@H](C)NC(=O)c1ccccc1C#CCN ZINC000049148579 519645150 /nfs/dbraw/zinc/64/51/50/519645150.db2.gz SHCZJRUEZMHZGU-OAHLLOKOSA-N 0 3 286.419 2.941 10 30 CFEEHN CCN(Cc1ccco1)Cc1ccc(F)c(C#CCN)c1 ZINC000049609862 521399419 /nfs/dbraw/zinc/39/94/19/521399419.db2.gz GVCVGOCYTUAEIR-UHFFFAOYSA-N 0 3 286.350 2.751 10 30 CFEEHN CC[C@@H](C)SCCOc1ccc(C#CCN)cc1 ZINC000049611204 522274294 /nfs/dbraw/zinc/27/42/94/522274294.db2.gz IYJHQLPVIBAJMG-CYBMUJFWSA-N 0 3 263.406 2.907 10 30 CFEEHN CCc1nc(NC(=O)c2cccc(C#CCN)c2)sc1C ZINC000049189204 522404518 /nfs/dbraw/zinc/40/45/18/522404518.db2.gz VGXMOIQGVCHZSD-UHFFFAOYSA-N 0 3 299.399 2.576 10 30 CFEEHN CC[C@H]1CCCCN1Cc1ccc(C#CCO)cc1F ZINC000049617498 523028023 /nfs/dbraw/zinc/02/80/23/523028023.db2.gz DQDIONMRCOYYOQ-INIZCTEOSA-N 0 3 275.367 2.934 10 30 CFEEHN CN(Cc1ccc(C#CCO)cc1F)C1CCCC1 ZINC000049617545 523208392 /nfs/dbraw/zinc/20/83/92/523208392.db2.gz ZEVHTSADMDZTLB-UHFFFAOYSA-N 0 3 261.340 2.544 10 30 CFEEHN CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C#CCN)c1 ZINC000049124775 523222544 /nfs/dbraw/zinc/22/25/44/523222544.db2.gz BRIPCCWLLVWQJC-NVXWUHKLSA-N 0 3 284.403 2.695 10 30 CFEEHN CN(Cc1ccccc1)Cc1ccc(F)c(C#CCO)c1 ZINC000049616325 523347811 /nfs/dbraw/zinc/34/78/11/523347811.db2.gz XPPWDSCBNANXJS-UHFFFAOYSA-N 0 3 283.346 2.802 10 30 CFEEHN COc1ccc(C#CCO)cc1CN(C)[C@H](C)C(C)C ZINC000049618581 523515587 /nfs/dbraw/zinc/51/55/87/523515587.db2.gz LDTVBLCLWTXXGG-CQSZACIVSA-N 0 3 275.392 2.515 10 30 CFEEHN COc1ccc(C#CCN)cc1CSCC(C)C ZINC000049611457 523515901 /nfs/dbraw/zinc/51/59/01/523515901.db2.gz YYHMOGNKOIUTOR-UHFFFAOYSA-N 0 3 263.406 2.895 10 30 CFEEHN COc1ccc(C#CCN)cc1CSc1ccccn1 ZINC000049611380 523516125 /nfs/dbraw/zinc/51/61/25/523516125.db2.gz PYYTVBCLENHIKS-UHFFFAOYSA-N 0 3 284.384 2.693 10 30 CFEEHN CC[C@H](C)CN(C)Cc1cc(C#CCO)ccc1OC ZINC000049617897 523868680 /nfs/dbraw/zinc/86/86/80/523868680.db2.gz OZCDAKXNYGXULM-AWEZNQCLSA-N 0 3 275.392 2.517 10 30 CFEEHN C[C@H]1CCCN(Cc2ccc(F)cc2C#CCCO)C1 ZINC000049616100 524094658 /nfs/dbraw/zinc/09/46/58/524094658.db2.gz NAXBGRLQEWHLKO-AWEZNQCLSA-N 0 3 275.367 2.792 10 30 CFEEHN C[C@H]1CCCN(Cc2ccc(F)c(C#CCCO)c2)C1 ZINC000049616106 524094697 /nfs/dbraw/zinc/09/46/97/524094697.db2.gz WGKYNMNAKNUEFS-AWEZNQCLSA-N 0 3 275.367 2.792 10 30 CFEEHN C[C@@H]1CCCCN1Cc1ccc(F)c(C#CCCO)c1 ZINC000049615763 524114176 /nfs/dbraw/zinc/11/41/76/524114176.db2.gz XJBFLVDPUSOQRF-CQSZACIVSA-N 0 3 275.367 2.934 10 30 CFEEHN COc1ccc(COc2ccccc2)cc1C#CCN ZINC000049610526 524121389 /nfs/dbraw/zinc/12/13/89/524121389.db2.gz OMNHVFUHLMZUPW-UHFFFAOYSA-N 0 3 267.328 2.584 10 30 CFEEHN Cc1cccc(OCc2cccc(C#CCN)c2)c1 ZINC000049610500 524765504 /nfs/dbraw/zinc/76/55/04/524765504.db2.gz IJVQZIVZEOEGSJ-UHFFFAOYSA-N 0 3 251.329 2.884 10 30 CFEEHN C[C@H]1C[C@H](C)CN(Cc2ccc(F)cc2C#CCO)C1 ZINC000049616659 524884648 /nfs/dbraw/zinc/88/46/48/524884648.db2.gz GGMOBCRITVAJIP-KBPBESRZSA-N 0 3 275.367 2.647 10 30 CFEEHN C[C@@H](NC(=O)C1CCCCC1)c1cccc(C#CCN)c1 ZINC000049587151 525069081 /nfs/dbraw/zinc/06/90/81/525069081.db2.gz AQRGYYKSXGKNSY-CQSZACIVSA-N 0 3 284.403 2.754 10 30 CFEEHN C[C@H]1CCCC[C@@H]1OCCOc1ccc(C#CCN)cc1 ZINC000049610671 526259154 /nfs/dbraw/zinc/25/91/54/526259154.db2.gz GXFSSWNBYCIKBH-YJBOKZPZSA-N 0 3 287.403 2.971 10 30 CFEEHN N#Cc1c(F)cccc1OCc1cccc(C#CCN)c1 ZINC000049611084 526526406 /nfs/dbraw/zinc/52/64/06/526526406.db2.gz LBUQMCPUMGKYIA-UHFFFAOYSA-N 0 3 280.302 2.587 10 30 CFEEHN NCC#Cc1cc(COc2ccc(F)cc2F)ccc1F ZINC000049610390 527147426 /nfs/dbraw/zinc/14/74/26/527147426.db2.gz VLDTYCFFEYNLOE-UHFFFAOYSA-N 0 3 291.272 2.993 10 30 CFEEHN NCC#Cc1cc(F)ccc1OCc1ccc(F)cc1F ZINC000050886310 527148257 /nfs/dbraw/zinc/14/82/57/527148257.db2.gz CRBKAIFCTQRIHM-UHFFFAOYSA-N 0 3 291.272 2.993 10 30 CFEEHN NCC#Cc1ccc(CN2Cc3ccccc3C2)c(F)c1 ZINC000050911915 527148865 /nfs/dbraw/zinc/14/88/65/527148865.db2.gz BRVYGIVJFWUMJE-UHFFFAOYSA-N 0 3 280.346 2.652 10 30 CFEEHN NCC#Cc1ccc(COc2ccc(F)c(F)c2)c(F)c1 ZINC000049611078 527149975 /nfs/dbraw/zinc/14/99/75/527149975.db2.gz QGBQBTVOKXVOHJ-UHFFFAOYSA-N 0 3 291.272 2.993 10 30 CFEEHN NCC#Cc1ccc(COc2cccc(F)c2)c(F)c1 ZINC000049610565 527150755 /nfs/dbraw/zinc/15/07/55/527150755.db2.gz ZIVWFPNZZBFVGP-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN NCC#Cc1cccc(CN2CCc3sccc3C2)c1 ZINC000049608510 527151188 /nfs/dbraw/zinc/15/11/88/527151188.db2.gz AQZGRDBWUNTMQD-UHFFFAOYSA-N 0 3 282.412 2.617 10 30 CFEEHN NCC#Cc1ccc(OCCOc2cccc(F)c2)cc1 ZINC000049610559 527151729 /nfs/dbraw/zinc/15/17/29/527151729.db2.gz JKJFIIKLOIMWHO-UHFFFAOYSA-N 0 3 285.318 2.594 10 30 CFEEHN NCC#Cc1cccc(CN2CCCc3ccccc32)c1 ZINC000049608700 527152079 /nfs/dbraw/zinc/15/20/79/527152079.db2.gz CBYTZQJGDMADSH-UHFFFAOYSA-N 0 3 276.383 2.950 10 30 CFEEHN NCC#Cc1cccc(CSc2ccccn2)c1 ZINC000049611384 527152916 /nfs/dbraw/zinc/15/29/16/527152916.db2.gz CDUYNAMITGRUIG-UHFFFAOYSA-N 0 3 254.358 2.684 10 30 CFEEHN C=C[C@@H](N)c1csc(I)c1 ZINC000130720693 347873916 /nfs/dbraw/zinc/87/39/16/347873916.db2.gz ZXHZXDLSTNDMBT-ZCFIWIBFSA-N 0 3 265.119 2.539 10 30 CFEEHN C=C(C)[C@H](N)c1cccc(I)c1 ZINC000131273741 347877214 /nfs/dbraw/zinc/87/72/14/347877214.db2.gz JEAGKLICSULVHY-JTQLQIEISA-N 0 3 273.117 2.867 10 30 CFEEHN CC#CC[C@@H](NC)c1ccc(Br)cn1 ZINC000133151377 347889943 /nfs/dbraw/zinc/88/99/43/347889943.db2.gz RRAUSZRFTOYCMV-SNVBAGLBSA-N 0 3 253.143 2.518 10 30 CFEEHN C#CC[C@@H](N)c1c(F)cc(Br)cc1F ZINC000168683496 348048995 /nfs/dbraw/zinc/04/89/95/348048995.db2.gz UEUSGJUHXZRGRN-SECBINFHSA-N 0 3 260.081 2.750 10 30 CFEEHN CCCN1CCC[C@](C#N)(NCc2cccs2)CC1 ZINC000086849231 179357926 /nfs/dbraw/zinc/35/79/26/179357926.db2.gz SAEHPZQZOUSPNY-HNNXBMFYSA-N 0 3 277.437 2.996 10 30 CFEEHN N#CC1CC(=O)c2cc(Br)cc(F)c21 ZINC000584618135 348691447 /nfs/dbraw/zinc/69/14/47/348691447.db2.gz DLUSWYLUKSUNLM-RXMQYKEDSA-N 0 3 254.058 2.782 10 30 CFEEHN N#C[C@@H]1CCCC[C@@H]1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000602706690 350990578 /nfs/dbraw/zinc/99/05/78/350990578.db2.gz HKNYQRVIJFFZSF-LXFSFDBISA-N 0 3 260.381 2.616 10 30 CFEEHN N#Cc1cccc([C@@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000616631905 352392579 /nfs/dbraw/zinc/39/25/79/352392579.db2.gz IJAJDSROBGPBBZ-SFHVURJKSA-N 0 3 277.371 2.705 10 30 CFEEHN N#Cc1ccccc1[C@H]1CNCCN1Cc1ccccc1 ZINC000616637548 352395442 /nfs/dbraw/zinc/39/54/42/352395442.db2.gz WQEBIIZKWVRHOE-GOSISDBHSA-N 0 3 277.371 2.705 10 30 CFEEHN C=CCC(CC=C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000153161795 188069078 /nfs/dbraw/zinc/06/90/78/188069078.db2.gz DORNJJWDSQKSMT-HIFRSBDPSA-N 0 3 264.413 2.600 10 30 CFEEHN C=CCOc1ccccc1CNC(=O)[C@@H](CCC)N(C)C ZINC000155017812 188176296 /nfs/dbraw/zinc/17/62/96/188176296.db2.gz KJPBKMAVOWJKNR-OAHLLOKOSA-N 0 3 290.407 2.598 10 30 CFEEHN Cc1nccn1C[C@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000178287750 189102563 /nfs/dbraw/zinc/10/25/63/189102563.db2.gz AJVAYWJDFFLUGP-MRXNPFEDSA-N 0 3 298.365 2.867 10 30 CFEEHN C=CCC[C@H](O)CN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000180881817 189281966 /nfs/dbraw/zinc/28/19/66/189281966.db2.gz SIILKUZMFVBYMY-OCCSQVGLSA-N 0 3 279.380 2.682 10 30 CFEEHN C=CCC[C@H](O)CN(CCCOC)Cc1ccc(F)cc1 ZINC000036031248 372554221 /nfs/dbraw/zinc/55/42/21/372554221.db2.gz FDOMAJRKRGNZCJ-KRWDZBQOSA-N 0 3 295.398 2.991 10 30 CFEEHN C=CCC[C@H](CN1CCSCC1)Oc1ccc(C)nn1 ZINC000072421393 374251039 /nfs/dbraw/zinc/25/10/39/374251039.db2.gz VAGWQYLUKOGJKX-CQSZACIVSA-N 0 3 293.436 2.547 10 30 CFEEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[C@H]1C#N ZINC000350458577 382012743 /nfs/dbraw/zinc/01/27/43/382012743.db2.gz JZNDBQIAOGUQDD-SPUZQDLCSA-N 0 3 283.419 2.789 10 30 CFEEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[C@@H]1C#N ZINC000350458555 382012996 /nfs/dbraw/zinc/01/29/96/382012996.db2.gz JZNDBQIAOGUQDD-DDBAPUKQSA-N 0 3 283.419 2.789 10 30 CFEEHN C[C@H](C#N)Oc1ccc(CN2CCN3CCCC[C@H]3C2)cc1 ZINC000245565124 383009136 /nfs/dbraw/zinc/00/91/36/383009136.db2.gz RFFNVQVXDZRZOF-WBVHZDCISA-N 0 3 299.418 2.648 10 30 CFEEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ccccc1C#N ZINC000252661882 383424827 /nfs/dbraw/zinc/42/48/27/383424827.db2.gz QQUQCMHZHCIEOK-YOEHRIQHSA-N 0 3 269.392 2.617 10 30 CFEEHN C[C@H]1CC(CNCc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000282342333 195581058 /nfs/dbraw/zinc/58/10/58/195581058.db2.gz VECPDPHVNCIICA-RYUDHWBXSA-N 0 3 276.355 2.991 10 30 CFEEHN COc1cc(NC(=N)c2ccccc2)cc(OC)c1OC ZINC000005607285 170119545 /nfs/dbraw/zinc/11/95/45/170119545.db2.gz OXKDCFVNMZBKRU-UHFFFAOYSA-N 0 3 286.331 2.749 10 30 CFEEHN C=CCOc1ccc(Br)cc1CNC ZINC000006579012 170215136 /nfs/dbraw/zinc/21/51/36/170215136.db2.gz XPXWMTJINRWYGW-UHFFFAOYSA-N 0 3 256.143 2.733 10 30 CFEEHN N#Cc1ccc(Cl)cc1N[C@@H]1CN2CCC1CC2 ZINC000036954584 172826315 /nfs/dbraw/zinc/82/63/15/172826315.db2.gz CAMZNRNKXOIBNC-CQSZACIVSA-N 0 3 261.756 2.718 10 30 CFEEHN CC[C@@H](C)NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037386233 173168811 /nfs/dbraw/zinc/16/88/11/173168811.db2.gz FGEWEDZFNUKHGS-SECBINFHSA-N 0 3 265.744 2.538 10 30 CFEEHN CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037393477 173173950 /nfs/dbraw/zinc/17/39/50/173173950.db2.gz YICIAHNTPIZWQM-UFBFGSQYSA-N 0 3 265.744 2.524 10 30 CFEEHN C[C@H](N)[C@H](Oc1cccc(F)c1C#N)c1ccco1 ZINC000043337813 175012833 /nfs/dbraw/zinc/01/28/33/175012833.db2.gz UTFZPYKIGDPUCY-XPTSAGLGSA-N 0 3 260.268 2.758 10 30 CFEEHN CC[C@H](C#N)Oc1ccc(CNC(C)C)cc1[N+](=O)[O-] ZINC000043538731 175063833 /nfs/dbraw/zinc/06/38/33/175063833.db2.gz KWYYFLLFSGBMCH-GFCCVEGCSA-N 0 3 277.324 2.774 10 30 CFEEHN CC[C@H](C#N)Oc1ccc2c(c1)OC(C)(C)C[C@H]2N ZINC000043539031 175064042 /nfs/dbraw/zinc/06/40/42/175064042.db2.gz VQUURAAPLMRDDR-ZWNOBZJWSA-N 0 3 260.337 2.928 10 30 CFEEHN CC(C)CCN(C)Cc1sccc1C#CCCO ZINC000043678572 175089319 /nfs/dbraw/zinc/08/93/19/175089319.db2.gz AGAGEFBLNRQCJS-UHFFFAOYSA-N 0 3 265.422 2.960 10 30 CFEEHN CCCCCN(C)Cc1ccc(C#CCO)s1 ZINC000043679580 175090588 /nfs/dbraw/zinc/09/05/88/175090588.db2.gz QEDROMDLVQDKAL-UHFFFAOYSA-N 0 3 251.395 2.714 10 30 CFEEHN Cc1ccccc1CN(C)Cc1ccc(C#CCN)s1 ZINC000043683946 175091966 /nfs/dbraw/zinc/09/19/66/175091966.db2.gz CZQNSUAKQYKFCL-UHFFFAOYSA-N 0 3 284.428 2.999 10 30 CFEEHN COc1cccc(OCc2sccc2C#CCN)c1 ZINC000043684726 175093291 /nfs/dbraw/zinc/09/32/91/175093291.db2.gz JLQUKDDNVYDKPP-UHFFFAOYSA-N 0 3 273.357 2.646 10 30 CFEEHN COc1ccccc1OCc1cc(C#CCN)cs1 ZINC000043689263 175096141 /nfs/dbraw/zinc/09/61/41/175096141.db2.gz XNUQHPHGRKRUPC-UHFFFAOYSA-N 0 3 273.357 2.646 10 30 CFEEHN CC[C@@H](C)N1C(=O)c2ccc(N(C)C)cc2C1C#N ZINC000071679086 176243851 /nfs/dbraw/zinc/24/38/51/176243851.db2.gz ICBYCYVRJOGXCU-QMTHXVAHSA-N 0 3 257.337 2.572 10 30 CFEEHN Cc1ncoc1C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000330109603 228042180 /nfs/dbraw/zinc/04/21/80/228042180.db2.gz PKDKWDNATPKVOQ-NSHDSACASA-N 0 3 265.357 2.552 10 30 CFEEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1cc(C#N)ccc1F ZINC000252660829 288298952 /nfs/dbraw/zinc/29/89/52/288298952.db2.gz DZSZYMCKLXWQCM-CJNGLKHVSA-N 0 3 287.382 2.756 10 30 CFEEHN CC(C)CC[C@H](C)NC(=O)c1ccc(C#CCN)s1 ZINC000069235787 519690760 /nfs/dbraw/zinc/69/07/60/519690760.db2.gz YDGOKAPHMTZAHE-LBPRGKRZSA-N 0 3 278.421 2.613 10 30 CFEEHN CCN(CC)CCN[C@]1(C#N)CCC[C@H](C(F)(F)F)C1 ZINC000069384712 520689969 /nfs/dbraw/zinc/68/99/69/520689969.db2.gz SGNFNROKUQUHLF-QWHCGFSZSA-N 0 3 291.361 2.933 10 30 CFEEHN CC(C)CC[C@@H](C)NC(=O)c1sccc1C#CCN ZINC000069235778 519682490 /nfs/dbraw/zinc/68/24/90/519682490.db2.gz SZHMIJOCRJYMRE-GFCCVEGCSA-N 0 3 278.421 2.613 10 30 CFEEHN CCCN[C@H](C)c1nnn(-c2cc(C#N)ccc2C)c1C ZINC000050436691 520067386 /nfs/dbraw/zinc/06/73/86/520067386.db2.gz VNOLMNSRRSUYNL-GFCCVEGCSA-N 0 3 283.379 2.816 10 30 CFEEHN CCN(CC)CCN[C@@]1(C#N)CCC[C@H](C(F)(F)F)C1 ZINC000069384718 520689778 /nfs/dbraw/zinc/68/97/78/520689778.db2.gz SGNFNROKUQUHLF-STQMWFEESA-N 0 3 291.361 2.933 10 30 CFEEHN CCN(CC1CC1)[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000069238190 520968429 /nfs/dbraw/zinc/96/84/29/520968429.db2.gz SZQNGVAENGNLIR-GFCCVEGCSA-N 0 3 271.364 2.617 10 30 CFEEHN CCC(C)(C)OCc1cc(C#CCN)ccc1OC ZINC000049610951 521359870 /nfs/dbraw/zinc/35/98/70/521359870.db2.gz XWIXYPASEZLYML-UHFFFAOYSA-N 0 3 261.365 2.711 10 30 CFEEHN CCCN(Cc1cc(C#CCO)ccc1OC)C(C)C ZINC000049617653 521681060 /nfs/dbraw/zinc/68/10/60/521681060.db2.gz BRGZOVYISAWXGG-UHFFFAOYSA-N 0 3 275.392 2.659 10 30 CFEEHN COc1cc(C)ccc1OCc1cccc(C#CCN)c1 ZINC000049610831 522280740 /nfs/dbraw/zinc/28/07/40/522280740.db2.gz WNWUXSIPCCRVRI-UHFFFAOYSA-N 0 3 281.355 2.893 10 30 CFEEHN CC[C@H]1CCCCN1Cc1ccc(OC)c(C#CCO)c1 ZINC000049617494 523029493 /nfs/dbraw/zinc/02/94/93/523029493.db2.gz KYCCKUAIIYKESM-KRWDZBQOSA-N 0 3 287.403 2.804 10 30 CFEEHN CN(Cc1ccc(C#CCCO)cc1F)C1CCCC1 ZINC000049617532 523205301 /nfs/dbraw/zinc/20/53/01/523205301.db2.gz DIAGCVILIPSTQB-UHFFFAOYSA-N 0 3 275.367 2.934 10 30 CFEEHN COc1ccc(C#CCN)cc1COc1cccc(F)c1 ZINC000049610562 523516142 /nfs/dbraw/zinc/51/61/42/523516142.db2.gz QWTNGDUEMWHCRH-UHFFFAOYSA-N 0 3 285.318 2.724 10 30 CFEEHN CN1CCC(Oc2cc(Cl)ccc2C#N)CC1 ZINC000062790243 523781731 /nfs/dbraw/zinc/78/17/31/523781731.db2.gz MULUCEKHZCVBIQ-UHFFFAOYSA-N 0 3 250.729 2.685 10 30 CFEEHN COc1ccc(CN2[C@H](C)CCC[C@H]2C)cc1C#CCO ZINC000049616910 524043843 /nfs/dbraw/zinc/04/38/43/524043843.db2.gz JWESJIDAMKYUFE-HUUCEWRRSA-N 0 3 287.403 2.802 10 30 CFEEHN COc1ccc(COCCC(C)C)cc1C#CCN ZINC000049610612 524112793 /nfs/dbraw/zinc/11/27/93/524112793.db2.gz CGIIOTVRUPPBKY-UHFFFAOYSA-N 0 3 261.365 2.568 10 30 CFEEHN COc1ccc(COCc2cccc(C#CCN)c2)cc1 ZINC000049610859 524117519 /nfs/dbraw/zinc/11/75/19/524117519.db2.gz UUFKTSBWNLAZPM-UHFFFAOYSA-N 0 3 281.355 2.722 10 30 CFEEHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(C#CCO)cc1F ZINC000049616911 524362524 /nfs/dbraw/zinc/36/25/24/524362524.db2.gz VEVVNQOVFQUPBF-OKILXGFUSA-N 0 3 275.367 2.932 10 30 CFEEHN Cc1ccc(CN(C)Cc2ccc(F)c(C#CCN)c2)o1 ZINC000049609114 524396234 /nfs/dbraw/zinc/39/62/34/524396234.db2.gz MBLZXDOGKPZKGS-UHFFFAOYSA-N 0 3 286.350 2.669 10 30 CFEEHN C[C@@H]1CCC[C@](CO)(N[C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054829960 524431213 /nfs/dbraw/zinc/43/12/13/524431213.db2.gz OKQAHGGCWBJHEZ-TUVASFSCSA-N 0 3 250.386 2.600 10 30 CFEEHN C[C@@H](NC(=O)c1ccsc1)c1cccc(C#CCN)c1 ZINC000049587193 525369525 /nfs/dbraw/zinc/36/95/25/525369525.db2.gz VEFVJAYJWQNDEE-GFCCVEGCSA-N 0 3 284.384 2.549 10 30 CFEEHN Cc1cnc(SCc2ccc(F)cc2C#CCN)nc1 ZINC000049612969 526101406 /nfs/dbraw/zinc/10/14/06/526101406.db2.gz RLRUAEHUFGILPV-UHFFFAOYSA-N 0 3 287.363 2.527 10 30 CFEEHN COc1cccc(OCc2ccc(F)cc2C#CCN)c1 ZINC000049610437 526236887 /nfs/dbraw/zinc/23/68/87/526236887.db2.gz BAMCDUSXXOJOJN-UHFFFAOYSA-N 0 3 285.318 2.724 10 30 CFEEHN C[C@H]1CCCCN1Cc1ccc(F)cc1C#CCCO ZINC000049615760 526251723 /nfs/dbraw/zinc/25/17/23/526251723.db2.gz ALLUNHUYFQYIKF-AWEZNQCLSA-N 0 3 275.367 2.934 10 30 CFEEHN C[C@H]1CCCC[C@@H]1OCCOc1cccc(C#CCN)c1 ZINC000049610691 526259387 /nfs/dbraw/zinc/25/93/87/526259387.db2.gz LACGVDPGWDCLSX-YJBOKZPZSA-N 0 3 287.403 2.971 10 30 CFEEHN Cc1nn(Cc2cc(C#CCN)cs2)c(C)c1Cl ZINC000050587873 526287162 /nfs/dbraw/zinc/28/71/62/526287162.db2.gz HJYVPJZUNFMGPU-UHFFFAOYSA-N 0 3 279.796 2.573 10 30 CFEEHN N#Cc1ccc(OCc2ccc(F)c(C#CCN)c2)cc1 ZINC000049610536 526677250 /nfs/dbraw/zinc/67/72/50/526677250.db2.gz QHSZMHLCDQBYTB-UHFFFAOYSA-N 0 3 280.302 2.587 10 30 CFEEHN N#Cc1ccc(OCc2ccc(F)cc2C#CCN)cc1 ZINC000049610535 526677825 /nfs/dbraw/zinc/67/78/25/526677825.db2.gz KUBVJESQFXZLJX-UHFFFAOYSA-N 0 3 280.302 2.587 10 30 CFEEHN N#Cc1cccnc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702223 526755019 /nfs/dbraw/zinc/75/50/19/526755019.db2.gz QEEHOMDDDDKMNG-MRXNPFEDSA-N 0 3 279.343 2.607 10 30 CFEEHN NCC#Cc1ccc(CN2CCc3ccccc32)c(F)c1 ZINC000049608618 527148375 /nfs/dbraw/zinc/14/83/75/527148375.db2.gz SJJBXHHBXTVSBC-UHFFFAOYSA-N 0 3 280.346 2.699 10 30 CFEEHN NCC#Cc1cccc(COCc2ccccc2F)c1 ZINC000069285287 527153117 /nfs/dbraw/zinc/15/31/17/527153117.db2.gz FQBVZOKMGIHUSH-UHFFFAOYSA-N 0 3 269.319 2.853 10 30 CFEEHN NCC#Cc1cccc(CSc2nccs2)c1 ZINC000049612868 527153522 /nfs/dbraw/zinc/15/35/22/527153522.db2.gz YLYOTTPUAAOQGU-UHFFFAOYSA-N 0 3 260.387 2.746 10 30 CFEEHN NCC#Cc1ccccc1CSc1ccccn1 ZINC000049611378 527154367 /nfs/dbraw/zinc/15/43/67/527154367.db2.gz CICCYOXHMYPGEG-UHFFFAOYSA-N 0 3 254.358 2.684 10 30 CFEEHN Cc1nc2ccccc2n1Cc1cccc(C#CCN)c1 ZINC000049610029 527171883 /nfs/dbraw/zinc/17/18/83/527171883.db2.gz FLYLJTYCQCFYQP-UHFFFAOYSA-N 0 3 275.355 2.703 10 30 CFEEHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000119191397 637523359 /nfs/dbraw/zinc/52/33/59/637523359.db2.gz KNEOOLABZPIVQQ-LSDHHAIUSA-N 0 3 286.419 2.674 10 30 CFEEHN C[C@@H](C#N)Oc1ccc(CN2CCS[C@@H](C)C2)cc1 ZINC000131348512 645705376 /nfs/dbraw/zinc/70/53/76/645705376.db2.gz MQTIXYXAYMFXHR-STQMWFEESA-N 0 3 276.405 2.915 10 30 CFEEHN CO[C@H](CN[C@@H]1CCCC[C@@H]1C#N)C1CCCC1 ZINC000595687405 349700278 /nfs/dbraw/zinc/70/02/78/349700278.db2.gz CKPSYTQSYVTLGM-RBSFLKMASA-N 0 3 250.386 2.864 10 30 CFEEHN CC(C#N)C(=O)c1ccccc1I ZINC000036931628 346324465 /nfs/dbraw/zinc/32/44/65/346324465.db2.gz UKMPRRFYKDXNNB-ZETCQYMHSA-N 0 3 285.084 2.634 10 30 CFEEHN CCCCC[C@@H](C#CCN(CC)CC)OC(C)=O ZINC000144338528 347940836 /nfs/dbraw/zinc/94/08/36/347940836.db2.gz WOWBCSYGICCHLZ-HNNXBMFYSA-N 0 3 253.386 2.844 10 30 CFEEHN N#Cc1cc2ccccc2c(=O)c2cc(CN)ccc21 ZINC000137430257 347913501 /nfs/dbraw/zinc/91/35/01/347913501.db2.gz CPLDWLDZAUVSCM-UHFFFAOYSA-N 0 3 260.296 2.684 10 30 CFEEHN C=CCC[C@@H](N)c1cc(OC)c(OC)cc1OC ZINC000167765919 348046310 /nfs/dbraw/zinc/04/63/10/348046310.db2.gz WSVJMNPHPUYSEN-LLVKDONJSA-N 0 3 251.326 2.678 10 30 CFEEHN C=CCN1CCC(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000172908661 348103982 /nfs/dbraw/zinc/10/39/82/348103982.db2.gz WOTYXAICLFEFFG-IRXDYDNUSA-N 0 3 290.451 2.969 10 30 CFEEHN CCN1CCC[C@@](C#N)(Nc2ccc(OC)cc2)CC1 ZINC000086849065 179358098 /nfs/dbraw/zinc/35/80/98/179358098.db2.gz GYOAJDYYHRKSMB-MRXNPFEDSA-N 0 3 273.380 2.875 10 30 CFEEHN C=C(C)[C@@H](N)c1sccc1I ZINC000307417391 348399275 /nfs/dbraw/zinc/39/92/75/348399275.db2.gz OLPGCACRPBQYQI-SSDOTTSWSA-N 0 3 279.146 2.929 10 30 CFEEHN CC#CC[C@H](N)c1sccc1I ZINC000307591228 348400853 /nfs/dbraw/zinc/40/08/53/348400853.db2.gz CELZAJLCDRHAHP-QMMMGPOBSA-N 0 3 291.157 2.766 10 30 CFEEHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)s1 ZINC000594428886 349419423 /nfs/dbraw/zinc/41/94/23/349419423.db2.gz PQKSEYCXYPJMNE-UWVGGRQHSA-N 0 3 299.827 2.990 10 30 CFEEHN N#C[C@H]1CCOC12CCN(Cc1ccccc1)CC2 ZINC000675080715 540676874 /nfs/dbraw/zinc/67/68/74/540676874.db2.gz TYNVPTUAOFEZIL-OAHLLOKOSA-N 0 3 256.349 2.581 10 30 CFEEHN COc1ccc(C[C@H](C)N[C@H]2CCC[C@@H]2C#N)cc1OC ZINC000061891568 373736253 /nfs/dbraw/zinc/73/62/53/373736253.db2.gz DAVOCTOUZXQCEK-CFVMTHIKSA-N 0 3 288.391 2.917 10 30 CFEEHN CCN1CCC[C@@H]1CN(C)c1cccc(F)c1C#N ZINC000093232601 375198334 /nfs/dbraw/zinc/19/83/34/375198334.db2.gz BQXBIBLKXNEFPH-GFCCVEGCSA-N 0 3 261.344 2.618 10 30 CFEEHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000151172104 378304135 /nfs/dbraw/zinc/30/41/35/378304135.db2.gz AFFAHJLYBLWJMA-HNNXBMFYSA-N 0 3 264.413 2.698 10 30 CFEEHN CCc1ccc([C@@H](C)NCCC(=O)N(C)CCC#N)cc1 ZINC000181475000 380801310 /nfs/dbraw/zinc/80/13/10/380801310.db2.gz OJTAZDREXZAEPN-CQSZACIVSA-N 0 3 287.407 2.662 10 30 CFEEHN CN(C)C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185761785 381726033 /nfs/dbraw/zinc/72/60/33/381726033.db2.gz LALMHGFCUTUIHK-UAGQMJEPSA-N 0 3 271.408 2.961 10 30 CFEEHN CC1(C)CN(c2cccc(Br)c2C#N)CCN1 ZINC000395956527 382630804 /nfs/dbraw/zinc/63/08/04/382630804.db2.gz BEUFZCQYKVWVDW-UHFFFAOYSA-N 0 3 294.196 2.509 10 30 CFEEHN CCCCCCCN1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000192014293 382704204 /nfs/dbraw/zinc/70/42/04/382704204.db2.gz NBGPJHGPZIWMOJ-OAHLLOKOSA-N 0 3 284.444 2.828 10 30 CFEEHN CCCCCCCN1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192014293 382704205 /nfs/dbraw/zinc/70/42/05/382704205.db2.gz NBGPJHGPZIWMOJ-OAHLLOKOSA-N 0 3 284.444 2.828 10 30 CFEEHN N#Cc1cccc(CN2C[C@H](CO)[C@@H](c3ccsc3)C2)c1 ZINC000249556947 383350467 /nfs/dbraw/zinc/35/04/67/383350467.db2.gz KDHNOJRDOAWOSY-IAGOWNOFSA-N 0 3 298.411 2.828 10 30 CFEEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1cccc(C#N)c1 ZINC000252661555 383424338 /nfs/dbraw/zinc/42/43/38/383424338.db2.gz LZXODYGWYBGBDR-PBHICJAKSA-N 0 3 269.392 2.617 10 30 CFEEHN Cc1cccc(COc2ccccc2C#CCN)c1 ZINC000037547909 173264485 /nfs/dbraw/zinc/26/44/85/173264485.db2.gz KAGBLKHBDVZJIE-UHFFFAOYSA-N 0 3 251.329 2.884 10 30 CFEEHN CCOC1CCN([C@H]2CCCCC[C@H]2C#N)CC1 ZINC000040689434 174376628 /nfs/dbraw/zinc/37/66/28/174376628.db2.gz WDIKCIUBXWLNQO-ZFWWWQNUSA-N 0 3 250.386 2.960 10 30 CFEEHN C[C@@H](C#N)Oc1ccc(CNC2CC2)cc1Cl ZINC000043513933 175061723 /nfs/dbraw/zinc/06/17/23/175061723.db2.gz RFAUBGFACKAIPZ-VIFPVBQESA-N 0 3 250.729 2.883 10 30 CFEEHN CC[C@@H](C#N)Oc1ccc(OC)cc1CNC(C)C ZINC000043538670 175064038 /nfs/dbraw/zinc/06/40/38/175064038.db2.gz WSPGIGPYZHNLFQ-ZDUSSCGKSA-N 0 3 262.353 2.874 10 30 CFEEHN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C#CCN)c(F)c1 ZINC000043582618 175070127 /nfs/dbraw/zinc/07/01/27/175070127.db2.gz LJZDVIBCHRADPK-BETUJISGSA-N 0 3 288.366 2.539 10 30 CFEEHN C[C@H]1CCCCN1Cc1sccc1C#CCCO ZINC000043678843 175089999 /nfs/dbraw/zinc/08/99/99/175089999.db2.gz JRHAIYYELNGPTH-ZDUSSCGKSA-N 0 3 263.406 2.856 10 30 CFEEHN CCCN(Cc1sccc1C#CCCO)C1CC1 ZINC000043679495 175090643 /nfs/dbraw/zinc/09/06/43/175090643.db2.gz IANGQRNSZHSHSA-UHFFFAOYSA-N 0 3 263.406 2.856 10 30 CFEEHN CCCN(Cc1sccc1C#CCN)CC(F)(F)F ZINC000043684268 175092964 /nfs/dbraw/zinc/09/29/64/175092964.db2.gz FFQSVBKQDQXKJP-UHFFFAOYSA-N 0 3 290.354 2.833 10 30 CFEEHN NCC#Cc1ccc(COc2ccc([N+](=O)[O-])cc2)s1 ZINC000043685339 175093816 /nfs/dbraw/zinc/09/38/16/175093816.db2.gz BRPRWJACZHNHOZ-UHFFFAOYSA-N 0 3 288.328 2.546 10 30 CFEEHN Cc1ccc(OCc2ccc(C#CCN)s2)cc1 ZINC000043684980 175094184 /nfs/dbraw/zinc/09/41/84/175094184.db2.gz VQFAITQYGLECPE-UHFFFAOYSA-N 0 3 257.358 2.946 10 30 CFEEHN N#Cc1cccc(OCc2sccc2C#CCN)c1 ZINC000043684975 175094186 /nfs/dbraw/zinc/09/41/86/175094186.db2.gz NNVKEYWXJJHNDF-UHFFFAOYSA-N 0 3 268.341 2.509 10 30 CFEEHN NCC#Cc1ccsc1COc1ccccc1[N+](=O)[O-] ZINC000043685349 175094205 /nfs/dbraw/zinc/09/42/05/175094205.db2.gz BNNHPNRUUKTNGQ-UHFFFAOYSA-N 0 3 288.328 2.546 10 30 CFEEHN CN(Cc1cc(C#CCN)cs1)Cc1ccc(F)cc1 ZINC000043689035 175095808 /nfs/dbraw/zinc/09/58/08/175095808.db2.gz SDFSMNYFIMISCA-UHFFFAOYSA-N 0 3 288.391 2.829 10 30 CFEEHN NCC#Cc1csc(Cn2ccnc2-c2ccccc2)c1 ZINC000043689201 175096150 /nfs/dbraw/zinc/09/61/50/175096150.db2.gz HENITMKPPSIVRW-UHFFFAOYSA-N 0 3 293.395 2.970 10 30 CFEEHN C=CCOc1ccccc1CNC[C@@H]1CCCCN1C ZINC000044561052 175205191 /nfs/dbraw/zinc/20/51/91/175205191.db2.gz UBEPXCZNWGZTBR-INIZCTEOSA-N 0 3 274.408 2.825 10 30 CFEEHN CN1CCCC[C@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000044563230 175206478 /nfs/dbraw/zinc/20/64/78/175206478.db2.gz RQQVRVPBZIOQBN-HNNXBMFYSA-N 0 3 284.407 2.728 10 30 CFEEHN N#CC(Cc1ccccc1)C(=O)N1CCCCCC1 ZINC000044808941 175257343 /nfs/dbraw/zinc/25/73/43/175257343.db2.gz WPRFKENYXOHYBS-OAHLLOKOSA-N 0 3 256.349 2.771 10 30 CFEEHN CN(Cc1sccc1C#CCCO)CC(C)(C)C ZINC000045086835 175304505 /nfs/dbraw/zinc/30/45/05/175304505.db2.gz DWDKHKLDOMBYPG-UHFFFAOYSA-N 0 3 265.422 2.960 10 30 CFEEHN C[C@@H](Cc1cccs1)NCc1cccnc1C#N ZINC000071269987 176103232 /nfs/dbraw/zinc/10/32/32/176103232.db2.gz SRHFUZGDBLTEOT-NSHDSACASA-N 0 3 257.362 2.736 10 30 CFEEHN CC1(C)CN(c2ccc(C(F)(F)F)cc2C#N)CCN1 ZINC000212718208 273585163 /nfs/dbraw/zinc/58/51/63/273585163.db2.gz OCGLBOQSKKVNJS-UHFFFAOYSA-N 0 3 283.297 2.765 10 30 CFEEHN CCN1CCC[C@H]1CN(C)c1nc(C)c(C#N)cc1Cl ZINC000336829845 276377641 /nfs/dbraw/zinc/37/76/41/276377641.db2.gz DPXMANFIMUOSQV-ZDUSSCGKSA-N 0 3 292.814 2.836 10 30 CFEEHN CC(C)C[C@H](CN(C)C)NC(=O)Nc1cccc(C#N)c1 ZINC000071936980 279129535 /nfs/dbraw/zinc/12/95/35/279129535.db2.gz XRFCSCQZZHXLOC-OAHLLOKOSA-N 0 3 288.395 2.656 10 30 CFEEHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(C)o2)CC1 ZINC000171701538 329078707 /nfs/dbraw/zinc/07/87/07/329078707.db2.gz IXTCJGMALPMXBY-ZDUSSCGKSA-N 0 3 291.395 2.599 10 30 CFEEHN C=C(C)C[C@H](C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000185153339 329266673 /nfs/dbraw/zinc/26/66/73/329266673.db2.gz ZVSNGZAOBVBFPC-KBPBESRZSA-N 0 3 254.418 2.681 10 30 CFEEHN C=C(C)C[C@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000185153359 329266781 /nfs/dbraw/zinc/26/67/81/329266781.db2.gz ZVSNGZAOBVBFPC-UONOGXRCSA-N 0 3 254.418 2.681 10 30 CFEEHN C=C[C@](C)(CC)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000191126632 333215760 /nfs/dbraw/zinc/21/57/60/333215760.db2.gz GDAMENLZJLSRNG-UKRRQHHQSA-N 0 3 254.418 2.681 10 30 CFEEHN C#C[C@H](CC)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000229878282 333310538 /nfs/dbraw/zinc/31/05/38/333310538.db2.gz XEIOBAUIGUFMLE-DGCLKSJQSA-N 0 3 277.364 2.775 10 30 CFEEHN N#C[C@@H]1CCC[C@@H]1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000250647584 334347586 /nfs/dbraw/zinc/34/75/86/334347586.db2.gz MXZGQQSCKOXBAJ-ULQDDVLXSA-N 0 3 269.392 2.543 10 30 CFEEHN N#C[C@@H]1CCC[C@@H]1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000250646456 334347726 /nfs/dbraw/zinc/34/77/26/334347726.db2.gz LXRNXOKAPUWRQT-BZSNNMDCSA-N 0 3 283.419 2.933 10 30 CFEEHN C#CC[C@H](NC)c1cc(Cl)c(OC)c(OC)c1 ZINC000051075032 518338818 /nfs/dbraw/zinc/33/88/18/518338818.db2.gz UUICKQNGCSMZKS-NSHDSACASA-N 0 3 253.729 2.641 10 30 CFEEHN CC(C)CCC(=O)N[C@H](C)c1ccc(C#CCN)cc1 ZINC000049586685 519636738 /nfs/dbraw/zinc/63/67/38/519636738.db2.gz QPDCKBWMDGUYCD-CQSZACIVSA-N 0 3 272.392 2.610 10 30 CFEEHN CC(C)C[C@@H](CN(C)C)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000049558160 519775939 /nfs/dbraw/zinc/77/59/39/519775939.db2.gz SJYSHUZALPMBHV-ZDUSSCGKSA-N 0 3 290.367 2.855 10 30 CFEEHN CCC1CCC(NC(=O)c2ccccc2C#CCN)CC1 ZINC000049124815 519856535 /nfs/dbraw/zinc/85/65/35/519856535.db2.gz GGNDFWVUPURJOD-UHFFFAOYSA-N 0 3 284.403 2.695 10 30 CFEEHN CCCCN(Cc1ccc(F)cc1C#CCO)C1CC1 ZINC000049613886 520544039 /nfs/dbraw/zinc/54/40/39/520544039.db2.gz HYASXNHSBFHEHL-UHFFFAOYSA-N 0 3 275.367 2.934 10 30 CFEEHN CCOc1ccc(OCc2cccc(C#CCN)c2)cc1 ZINC000049610402 521181245 /nfs/dbraw/zinc/18/12/45/521181245.db2.gz NTXPMLXIMUKNMG-UHFFFAOYSA-N 0 3 281.355 2.975 10 30 CFEEHN CC[C@@H](NC(=O)c1cccc(C#CCN)c1)c1cccs1 ZINC000049533326 522792297 /nfs/dbraw/zinc/79/22/97/522792297.db2.gz GSAGFHBZMSIEPF-OAHLLOKOSA-N 0 3 298.411 2.939 10 30 CFEEHN CC[C@H]1CCCN1Cc1ccc(F)c(C#CCO)c1 ZINC000049615165 523109952 /nfs/dbraw/zinc/10/99/52/523109952.db2.gz YKOUBLILPRZPFO-HNNXBMFYSA-N 0 3 261.340 2.544 10 30 CFEEHN CC[C@@H]1CCCCN1Cc1ccc(OC)c(C#CCO)c1 ZINC000049617491 523178373 /nfs/dbraw/zinc/17/83/73/523178373.db2.gz KYCCKUAIIYKESM-QGZVFWFLSA-N 0 3 287.403 2.804 10 30 CFEEHN CN(Cc1ccc(F)cc1C#CCN)c1ccccc1 ZINC000049608425 523252620 /nfs/dbraw/zinc/25/26/20/523252620.db2.gz MKAXXMDCLZFYRW-UHFFFAOYSA-N 0 3 268.335 2.772 10 30 CFEEHN CN(Cc1ccccc1)Cc1ccccc1C#CCO ZINC000049616317 523348206 /nfs/dbraw/zinc/34/82/06/523348206.db2.gz SBTRBWRGFBESPB-UHFFFAOYSA-N 0 3 265.356 2.662 10 30 CFEEHN COc1ccc(C#CCCO)cc1CN1CCCC[C@@H]1C ZINC000049615703 523509761 /nfs/dbraw/zinc/50/97/61/523509761.db2.gz BSHXKSZJAAHWPZ-HNNXBMFYSA-N 0 3 287.403 2.804 10 30 CFEEHN COc1ccc(C#CCO)cc1CN(C)[C@@H](C)C(C)C ZINC000049618584 523516582 /nfs/dbraw/zinc/51/65/82/523516582.db2.gz LDTVBLCLWTXXGG-AWEZNQCLSA-N 0 3 275.392 2.515 10 30 CFEEHN CN1CCC(Oc2ccc(Cl)cc2C#N)CC1 ZINC000052859888 523783241 /nfs/dbraw/zinc/78/32/41/523783241.db2.gz VKBAFVCPWQXGDY-UHFFFAOYSA-N 0 3 250.729 2.685 10 30 CFEEHN CC[C@H](C)N(C)Cc1cc(C#CCCO)ccc1OC ZINC000049617180 523923163 /nfs/dbraw/zinc/92/31/63/523923163.db2.gz CFSREZRDBNKVKD-AWEZNQCLSA-N 0 3 275.392 2.659 10 30 CFEEHN COc1ccc(CN2CCC[C@H](C)C2)cc1C#CCCO ZINC000049616015 524029425 /nfs/dbraw/zinc/02/94/25/524029425.db2.gz WDODFZBBHZOEGP-HNNXBMFYSA-N 0 3 287.403 2.661 10 30 CFEEHN C[C@H]1CCCN1Cc1ccc(F)c(C#CCCO)c1 ZINC000049615277 524119514 /nfs/dbraw/zinc/11/95/14/524119514.db2.gz ZIAKXASUFCXVPY-ZDUSSCGKSA-N 0 3 261.340 2.544 10 30 CFEEHN COc1ccccc1OCc1ccc(C#CCN)cc1F ZINC000049610555 524686202 /nfs/dbraw/zinc/68/62/02/524686202.db2.gz NLVGUJXARILSLW-UHFFFAOYSA-N 0 3 285.318 2.724 10 30 CFEEHN Cc1ccc(NC(=O)c2cncc(C#CCN)c2)cc1Cl ZINC000049629292 525253562 /nfs/dbraw/zinc/25/35/62/525253562.db2.gz CCHSBYMBXCDSDD-UHFFFAOYSA-N 0 3 299.761 2.606 10 30 CFEEHN Cc1ccccc1OCc1ccccc1C#CCN ZINC000049610504 525317287 /nfs/dbraw/zinc/31/72/87/525317287.db2.gz HSCPLPAQNBCUCK-UHFFFAOYSA-N 0 3 251.329 2.884 10 30 CFEEHN C[C@@H]1Cc2ccccc2N1Cc1cccc(C#CCN)c1 ZINC000049608556 525534237 /nfs/dbraw/zinc/53/42/37/525534237.db2.gz ZHENXHAQKCOMQM-OAHLLOKOSA-N 0 3 276.383 2.948 10 30 CFEEHN C[C@H](C/C(N)=N/O)N1CCC2(CCCCC2)CC1 ZINC000061820210 526196466 /nfs/dbraw/zinc/19/64/66/526196466.db2.gz YLGACSDHIPEZFU-GFCCVEGCSA-N 0 3 253.390 2.558 10 30 CFEEHN Cc1nn(Cc2ccc(C#CCN)cc2)c(C)c1Cl ZINC000050587880 526288546 /nfs/dbraw/zinc/28/85/46/526288546.db2.gz QPIBOCWATQDCSL-UHFFFAOYSA-N 0 3 273.767 2.512 10 30 CFEEHN Cc1nnc(SCc2ccc(C#CCN)cc2F)s1 ZINC000049611577 526387026 /nfs/dbraw/zinc/38/70/26/526387026.db2.gz DPCYMPAKTGNHJY-UHFFFAOYSA-N 0 3 293.392 2.588 10 30 CFEEHN N#Cc1ccc(F)cc1CN1CCNCc2ccccc21 ZINC000069402116 526640686 /nfs/dbraw/zinc/64/06/86/526640686.db2.gz YOYLICZFLKDWLK-UHFFFAOYSA-N 0 3 281.334 2.807 10 30 CFEEHN N#Cc1ccccc1COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516387 526737156 /nfs/dbraw/zinc/73/71/56/526737156.db2.gz DKXIZKTVQNTARB-UHFFFAOYSA-N 0 3 283.287 2.504 10 30 CFEEHN C#CCCOc1ccc(CN[C@H](C)[C@H]2CCCO2)cc1 ZINC000113321181 526744938 /nfs/dbraw/zinc/74/49/38/526744938.db2.gz CCBWIQWVOYDOLY-RHSMWYFYSA-N 0 3 273.376 2.746 10 30 CFEEHN NCC#Cc1cc(COc2cccc(F)c2)ccc1F ZINC000049610568 527146452 /nfs/dbraw/zinc/14/64/52/527146452.db2.gz OZUWTSYMPNDPHR-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN NCC#Cc1cc(F)ccc1CN1CCc2ccccc21 ZINC000049608620 527148522 /nfs/dbraw/zinc/14/85/22/527148522.db2.gz PXHRUJQSWVQIDH-UHFFFAOYSA-N 0 3 280.346 2.699 10 30 CFEEHN NCC#Cc1ccc(COc2ccccc2)c(F)c1 ZINC000049610527 527150803 /nfs/dbraw/zinc/15/08/03/527150803.db2.gz CYRPFZNBRVAGGN-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN NCC#Cc1cccc(OCCCOc2ccccc2)c1 ZINC000061817006 527153695 /nfs/dbraw/zinc/15/36/95/527153695.db2.gz QEZYXDOQKBOFMP-UHFFFAOYSA-N 0 3 281.355 2.845 10 30 CFEEHN OCC#Cc1ccc(CN2CCCCCC2)c(F)c1 ZINC000049616142 527519332 /nfs/dbraw/zinc/51/93/32/527519332.db2.gz HEIGEAAJGADJBU-UHFFFAOYSA-N 0 3 261.340 2.546 10 30 CFEEHN CC(C#N)C(=O)c1cc(F)ccc1Br ZINC000036935199 346324932 /nfs/dbraw/zinc/32/49/32/346324932.db2.gz BQGIWFWPRAAKJA-ZCFIWIBFSA-N 0 3 256.074 2.931 10 30 CFEEHN C#CC[C@@H](NC)c1ccc(Br)cc1F ZINC000166113691 348041716 /nfs/dbraw/zinc/04/17/16/348041716.db2.gz CEXURPZPANQOFX-LLVKDONJSA-N 0 3 256.118 2.872 10 30 CFEEHN C=CCC[C@H](N)c1ccc(OC)c(OC)c1OC ZINC000167799596 348045974 /nfs/dbraw/zinc/04/59/74/348045974.db2.gz NITYYUUVEOMRSW-NSHDSACASA-N 0 3 251.326 2.678 10 30 CFEEHN C#C[C@@H](N)c1cc(Br)cc(Br)c1 ZINC000236301507 348233049 /nfs/dbraw/zinc/23/30/49/348233049.db2.gz PJFDSDBSIQRROK-SECBINFHSA-N 0 3 288.970 2.845 10 30 CFEEHN N#C[C@@H]1CCCC[C@H]1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000309847921 348408159 /nfs/dbraw/zinc/40/81/59/348408159.db2.gz YVDLBFSGDJCBBP-OKZBNKHCSA-N 0 3 283.419 2.933 10 30 CFEEHN CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCc2nccn2C1 ZINC000328646602 348442045 /nfs/dbraw/zinc/44/20/45/348442045.db2.gz STAOSWVQYHYCFE-AWEZNQCLSA-N 0 3 298.365 2.588 10 30 CFEEHN C#CCN[C@@H](CN)c1ccc(-c2ccccc2)cc1 ZINC000087910267 179517607 /nfs/dbraw/zinc/51/76/07/179517607.db2.gz FREUKPDJNLWZSI-KRWDZBQOSA-N 0 3 250.345 2.576 10 30 CFEEHN CCN1CCC[C@H]1CN(C)Cc1cc(C#N)cs1 ZINC000123445161 187092142 /nfs/dbraw/zinc/09/21/42/187092142.db2.gz MGAXBEBDZBNZNX-ZDUSSCGKSA-N 0 3 263.410 2.536 10 30 CFEEHN C#CCOc1ccccc1CNCCCOCCCC ZINC000045945942 373038475 /nfs/dbraw/zinc/03/84/75/373038475.db2.gz PTFRPBBNCOTCFU-UHFFFAOYSA-N 0 3 275.392 2.995 10 30 CFEEHN N#C[C@@H]1CCC[C@@H]1NC1CCN(Cc2ccccc2)CC1 ZINC000054823758 373529230 /nfs/dbraw/zinc/52/92/30/373529230.db2.gz SGNKNIVNFUOYSA-WMZOPIPTSA-N 0 3 283.419 2.933 10 30 CFEEHN C[C@@H](N)C#Cc1c(Cl)cccc1Br ZINC000306883411 382461312 /nfs/dbraw/zinc/46/13/12/382461312.db2.gz KCYQYFYALJOEON-SSDOTTSWSA-N 0 3 258.546 2.801 10 30 CFEEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccc(C#N)cc1 ZINC000252660783 383424676 /nfs/dbraw/zinc/42/46/76/383424676.db2.gz DGEKBMFWMWAILZ-PBHICJAKSA-N 0 3 269.392 2.617 10 30 CFEEHN C=C[C@](C)(O)CN(Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000253388690 383455181 /nfs/dbraw/zinc/45/51/81/383455181.db2.gz ALXXMKDEYFKHDO-SJORKVTESA-N 0 3 293.382 2.744 10 30 CFEEHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000188480303 262299829 /nfs/dbraw/zinc/29/98/29/262299829.db2.gz DKPMJTHYXMSMPP-ZFWWWQNUSA-N 0 3 252.402 2.531 10 30 CFEEHN Cc1cc(C#N)ccc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC000186260962 393543268 /nfs/dbraw/zinc/54/32/68/393543268.db2.gz WKKUXCRZBLZHSP-GOSISDBHSA-N 0 3 293.370 2.915 10 30 CFEEHN CC(C)C[C@H](CN(C)C)NCc1ccc(C#N)cc1F ZINC000049555977 393612316 /nfs/dbraw/zinc/61/23/16/393612316.db2.gz IFDUPEUJZRURSI-OAHLLOKOSA-N 0 3 277.387 2.763 10 30 CFEEHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cccs1 ZINC000192588181 393626745 /nfs/dbraw/zinc/62/67/45/393626745.db2.gz MNFWVFPYJDZUBR-CHWSQXEVSA-N 0 3 278.421 2.988 10 30 CFEEHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cccs1 ZINC000192588170 393626871 /nfs/dbraw/zinc/62/68/71/393626871.db2.gz MNFWVFPYJDZUBR-QWHCGFSZSA-N 0 3 278.421 2.988 10 30 CFEEHN CC(C)N1C[C@H](C)[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000246846531 393887367 /nfs/dbraw/zinc/88/73/67/393887367.db2.gz FDYVAWNALYDUPU-GXFFZTMASA-N 0 3 278.787 2.747 10 30 CFEEHN CC(C)(C#N)CCCN1CCC(Nc2cccnn2)CC1 ZINC000174848742 394379916 /nfs/dbraw/zinc/37/99/16/394379916.db2.gz KJEJWRPZCNRAGE-UHFFFAOYSA-N 0 3 287.411 2.683 10 30 CFEEHN C#CCN[C@H]1CCc2cc(Br)ccc21 ZINC000040226056 174208723 /nfs/dbraw/zinc/20/87/23/174208723.db2.gz CGMMUWJQIQCSFT-LBPRGKRZSA-N 0 3 250.139 2.659 10 30 CFEEHN Cc1nn(-c2cccc(C#N)c2)c(C)c1CNC1CC1 ZINC000040932584 174435908 /nfs/dbraw/zinc/43/59/08/174435908.db2.gz TXLKTBGIAFKKEY-UHFFFAOYSA-N 0 3 266.348 2.613 10 30 CFEEHN CN[C@@H](C)c1cc(F)ccc1N(CCC#N)C1CC1 ZINC000042531484 174781971 /nfs/dbraw/zinc/78/19/71/174781971.db2.gz DWVHMPJZMDFILR-NSHDSACASA-N 0 3 261.344 2.989 10 30 CFEEHN CC[C@H](C#N)NC[C@H](c1ccccc1)N(CC)CC ZINC000043539447 175063878 /nfs/dbraw/zinc/06/38/78/175063878.db2.gz UGKVSWQXWYSTAP-HZPDHXFCSA-N 0 3 259.397 2.961 10 30 CFEEHN CCOC(=O)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000043618094 175080155 /nfs/dbraw/zinc/08/01/55/175080155.db2.gz ADHBZJDBALFDSO-NEPJUHHUSA-N 0 3 260.337 2.551 10 30 CFEEHN CN(Cc1ccsc1)Cc1ccc(C#CCN)s1 ZINC000043683677 175092182 /nfs/dbraw/zinc/09/21/82/175092182.db2.gz VVADNBBLHCGXHR-UHFFFAOYSA-N 0 3 276.430 2.752 10 30 CFEEHN NCC#Cc1ccc(Cn2ccnc2-c2ccccc2)s1 ZINC000043684418 175093334 /nfs/dbraw/zinc/09/33/34/175093334.db2.gz CMFQQMNOCSVWNB-UHFFFAOYSA-N 0 3 293.395 2.970 10 30 CFEEHN C=CCSc1ccccc1NC(=O)CNCCC ZINC000044291574 175160285 /nfs/dbraw/zinc/16/02/85/175160285.db2.gz LOMLGKSRVLAWOF-UHFFFAOYSA-N 0 3 264.394 2.903 10 30 CFEEHN C=CCSc1ccccc1NC(=O)CNCC ZINC000044290878 175160489 /nfs/dbraw/zinc/16/04/89/175160489.db2.gz WKVZWAUBMULKRC-UHFFFAOYSA-N 0 3 250.367 2.513 10 30 CFEEHN CC1CCN(C(=O)C(C#N)Cc2ccccc2)CC1 ZINC000044808602 175257370 /nfs/dbraw/zinc/25/73/70/175257370.db2.gz RCFVQSZEJUMRBX-OAHLLOKOSA-N 0 3 256.349 2.627 10 30 CFEEHN N#Cc1cccc(CNC2=NC[C@H](C3CC3)S2)c1 ZINC000071307955 176116066 /nfs/dbraw/zinc/11/60/66/176116066.db2.gz PVPMFYFZUIJMFD-CYBMUJFWSA-N 0 3 257.362 2.529 10 30 CFEEHN C=CC[C@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000249597166 261255178 /nfs/dbraw/zinc/25/51/78/261255178.db2.gz XDWZWNBWJKJNLX-IRXDYDNUSA-N 0 3 284.403 2.653 10 30 CFEEHN Cc1ccccc1[C@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000123188641 268006207 /nfs/dbraw/zinc/00/62/07/268006207.db2.gz JDPWWOYZJKSHJC-YOEHRIQHSA-N 0 3 287.407 2.700 10 30 CFEEHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424076445 330220730 /nfs/dbraw/zinc/22/07/30/330220730.db2.gz LVCQVCTVHGLYSD-MFKMUULPSA-N 0 3 279.771 2.538 10 30 CFEEHN CCOCCN1CCN(CCCC(C)(C)C#N)C[C@@H]1CC ZINC000174849484 333008854 /nfs/dbraw/zinc/00/88/54/333008854.db2.gz UUNBYRVQAPHZMX-INIZCTEOSA-N 0 3 295.471 2.749 10 30 CFEEHN C=C[C@@](C)(CC)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000191126649 333215845 /nfs/dbraw/zinc/21/58/45/333215845.db2.gz GDAMENLZJLSRNG-HIFRSBDPSA-N 0 3 254.418 2.681 10 30 CFEEHN CC(C)C[C@H]1CSC(N[C@@H](C)CN2CCCC2)=N1 ZINC000049185298 519418018 /nfs/dbraw/zinc/41/80/18/519418018.db2.gz CNEWSJVLWMNHAH-STQMWFEESA-N 0 3 269.458 2.578 10 30 CFEEHN CCCCCOCc1cc(C#CCN)ccc1OC ZINC000049611069 520245839 /nfs/dbraw/zinc/24/58/39/520245839.db2.gz NHYFOLBVSWHDLH-UHFFFAOYSA-N 0 3 261.365 2.712 10 30 CFEEHN CCCN(CCN(C)C)[C@H](CC#N)c1ccccc1 ZINC000055020684 521657710 /nfs/dbraw/zinc/65/77/10/521657710.db2.gz HDSOUWQCVYVFKR-MRXNPFEDSA-N 0 3 259.397 2.915 10 30 CFEEHN CC(C)(C)NC(=O)Nc1cc(C#CCN)ccc1Cl ZINC000061692073 518745742 /nfs/dbraw/zinc/74/57/42/518745742.db2.gz VEAMVTKRRJVEAO-UHFFFAOYSA-N 0 3 279.771 2.570 10 30 CFEEHN CC(C)(C)NCc1nccn1Cc1ccccc1C#N ZINC000051015474 518767403 /nfs/dbraw/zinc/76/74/03/518767403.db2.gz FETBBJYAPZAWKM-UHFFFAOYSA-N 0 3 268.364 2.691 10 30 CFEEHN CC(C)(C)SCCOc1ccc(C#CCN)cc1 ZINC000049611224 518912420 /nfs/dbraw/zinc/91/24/20/518912420.db2.gz DZZIQHRMAYMVIS-UHFFFAOYSA-N 0 3 263.406 2.907 10 30 CFEEHN CCC1CCC(NC(=O)c2ccc(C#CCN)cc2)CC1 ZINC000049124811 519856230 /nfs/dbraw/zinc/85/62/30/519856230.db2.gz VQYNQKANGAZIGH-UHFFFAOYSA-N 0 3 284.403 2.695 10 30 CFEEHN CCCN[C@H](C#N)CCN1CCC(C)(CC)CC1 ZINC000062955900 520060791 /nfs/dbraw/zinc/06/07/91/520060791.db2.gz LIDGTNIZFGVHCP-AWEZNQCLSA-N 0 3 251.418 2.780 10 30 CFEEHN CCN(Cc1ccco1)Cc1ccc(C#CCN)cc1F ZINC000049609859 521399155 /nfs/dbraw/zinc/39/91/55/521399155.db2.gz QOPOWPQQGPYLHA-UHFFFAOYSA-N 0 3 286.350 2.751 10 30 CFEEHN CCOc1ccccc1OCc1ccc(C#CCN)cc1 ZINC000049610425 521568954 /nfs/dbraw/zinc/56/89/54/521568954.db2.gz QKNIUUSFERBSKB-UHFFFAOYSA-N 0 3 281.355 2.975 10 30 CFEEHN CC[C@H]1CCCN(Cc2ccc(C#CCO)cc2F)C1 ZINC000049613065 523091958 /nfs/dbraw/zinc/09/19/58/523091958.db2.gz BROGWAPFZRTRTR-AWEZNQCLSA-N 0 3 275.367 2.792 10 30 CFEEHN CN(Cc1ccc(F)cc1)Cc1cccc(C#CCN)c1 ZINC000049609960 523251138 /nfs/dbraw/zinc/25/11/38/523251138.db2.gz XJKFALMEQUGEHG-UHFFFAOYSA-N 0 3 282.362 2.768 10 30 CFEEHN CC[C@@H]1CCCN1Cc1ccc(C#CCCO)cc1F ZINC000049615123 523269667 /nfs/dbraw/zinc/26/96/67/523269667.db2.gz BOYVTFDQWOCKCQ-MRXNPFEDSA-N 0 3 275.367 2.934 10 30 CFEEHN CN(Cc1cccc(F)c1)Cc1cccc(C#CCO)c1 ZINC000049617083 523310341 /nfs/dbraw/zinc/31/03/41/523310341.db2.gz WQGKGZDQQZOSGC-UHFFFAOYSA-N 0 3 283.346 2.802 10 30 CFEEHN COc1ccc(COCc2ccc(C#CCN)cc2)cc1 ZINC000049610858 524117598 /nfs/dbraw/zinc/11/75/98/524117598.db2.gz SSRZJMSXDGXGQV-UHFFFAOYSA-N 0 3 281.355 2.722 10 30 CFEEHN C[C@H]1CCCN1Cc1ccc(F)cc1C#CCCO ZINC000049615269 524119087 /nfs/dbraw/zinc/11/90/87/524119087.db2.gz VZRQZIBKEVOGLN-ZDUSSCGKSA-N 0 3 261.340 2.544 10 30 CFEEHN C[C@@H]1CCCN1Cc1ccc(C#CCCO)cc1F ZINC000049615207 524262128 /nfs/dbraw/zinc/26/21/28/524262128.db2.gz ZOBZPJNMBOYXFP-CYBMUJFWSA-N 0 3 261.340 2.544 10 30 CFEEHN Cc1ccc(Cl)cc1NC(=O)c1cncc(C#CCN)c1 ZINC000049629506 524757570 /nfs/dbraw/zinc/75/75/70/524757570.db2.gz XSFAKXAKNBZEFU-UHFFFAOYSA-N 0 3 299.761 2.606 10 30 CFEEHN COc1ccc(OCc2ccc(F)c(C#CCN)c2)cc1 ZINC000049610574 524975886 /nfs/dbraw/zinc/97/58/86/524975886.db2.gz LVHIOJIYZRIONF-UHFFFAOYSA-N 0 3 285.318 2.724 10 30 CFEEHN C[C@@H](NC(=O)CC(C)(C)C)c1ccc(C#CCN)cc1 ZINC000049586780 525076586 /nfs/dbraw/zinc/07/65/86/525076586.db2.gz OGLXEOLUHGGPRS-CYBMUJFWSA-N 0 3 272.392 2.610 10 30 CFEEHN Cc1ccccc1OCCOc1cccc(C#CCN)c1 ZINC000049610508 525304286 /nfs/dbraw/zinc/30/42/86/525304286.db2.gz COVHLUOTQGOTCV-UHFFFAOYSA-N 0 3 281.355 2.763 10 30 CFEEHN C[C@@H](NC(=O)c1cccc(C#CCN)c1)C1CCCCC1 ZINC000052344710 525339992 /nfs/dbraw/zinc/33/99/92/525339992.db2.gz IBFUZLQAWBXRCY-CQSZACIVSA-N 0 3 284.403 2.695 10 30 CFEEHN Cc1c(Cl)cccc1NC(=O)c1cncc(C#CCN)c1 ZINC000049629299 525777959 /nfs/dbraw/zinc/77/79/59/525777959.db2.gz QRCNQFMQNLTUIM-UHFFFAOYSA-N 0 3 299.761 2.606 10 30 CFEEHN Cc1occc1C(=O)Nc1cc(C#CCN)ccc1Cl ZINC000061692005 526813768 /nfs/dbraw/zinc/81/37/68/526813768.db2.gz NADAAHQUSFIORG-UHFFFAOYSA-N 0 3 288.734 2.804 10 30 CFEEHN NN=C(NC1CCCC1)[C@@H]1CCCc2ccccc21 ZINC000054669734 526816208 /nfs/dbraw/zinc/81/62/08/526816208.db2.gz FOPRPZGHIOZASK-OAHLLOKOSA-N 0 3 257.381 2.911 10 30 CFEEHN NCC#Cc1ccc(CNC(=O)c2cccc(Cl)c2)cc1 ZINC000049586282 527149658 /nfs/dbraw/zinc/14/96/58/527149658.db2.gz FJERLYBPOWOOOP-UHFFFAOYSA-N 0 3 298.773 2.580 10 30 CFEEHN NCC#Cc1cccc(COc2ccc(F)c(F)c2)c1 ZINC000049611079 527152942 /nfs/dbraw/zinc/15/29/42/527152942.db2.gz WBPXDOFZUTXXBU-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN NCC#Cc1cccc(COc2ccc(F)cc2)c1 ZINC000049610520 527153073 /nfs/dbraw/zinc/15/30/73/527153073.db2.gz PXCKFYULDNZYQV-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN NCC#Cc1ccccc1COCc1ccccc1 ZINC000049610342 527155062 /nfs/dbraw/zinc/15/50/62/527155062.db2.gz OMMBNHOAPXEYEY-UHFFFAOYSA-N 0 3 251.329 2.714 10 30 CFEEHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000120566015 617730225 /nfs/dbraw/zinc/73/02/25/617730225.db2.gz RCIPHCAAAAXLRA-ZIAGYGMSSA-N 0 3 286.419 2.773 10 30 CFEEHN N#CC(C(=O)[C@@H]1C[C@@H]1C1CC1)c1nc2ccccc2[nH]1 ZINC000176080490 617774043 /nfs/dbraw/zinc/77/40/43/617774043.db2.gz JSFQCSJLYDPQAP-IJLUTSLNSA-N 0 3 265.316 2.785 10 30 CFEEHN C#CCCNCc1ccc(C)cc1Br ZINC000129625991 617909037 /nfs/dbraw/zinc/90/90/37/617909037.db2.gz GPFVHXKNSLIZHL-UHFFFAOYSA-N 0 3 252.155 2.870 10 30 CFEEHN C=CCN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000005426602 346211033 /nfs/dbraw/zinc/21/10/33/346211033.db2.gz XXJGKEKTYNBRRE-UHOSZYNNSA-N 0 3 297.398 2.816 10 30 CFEEHN CN(CCCN[C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000054823351 346577212 /nfs/dbraw/zinc/57/72/12/346577212.db2.gz MGAAHXSJMPZEMH-GDBMZVCRSA-N 0 3 257.381 2.795 10 30 CFEEHN C=C(Br)COc1ccc(CNCCC)nc1 ZINC000086791153 179336284 /nfs/dbraw/zinc/33/62/84/179336284.db2.gz YRNZOLUTOYYTHR-UHFFFAOYSA-N 0 3 285.185 2.869 10 30 CFEEHN CN(C)CCN1CCC(C#N)(CCc2ccccc2)CC1 ZINC000219250746 348168273 /nfs/dbraw/zinc/16/82/73/348168273.db2.gz QNLZTVKENDILBM-UHFFFAOYSA-N 0 3 285.435 2.787 10 30 CFEEHN CC(C#N)C(=O)c1cccc(Br)c1F ZINC000235072540 348224166 /nfs/dbraw/zinc/22/41/66/348224166.db2.gz QEGRBXOUINIIMV-LURJTMIESA-N 0 3 256.074 2.931 10 30 CFEEHN Cc1ccc(S(=O)(=O)O[C@H]2CCCC[C@@H]2N(C)C)cc1 ZINC000584601544 348685721 /nfs/dbraw/zinc/68/57/21/348685721.db2.gz XGIDNKYKUHPTQG-GJZGRUSLSA-N 0 3 297.420 2.573 10 30 CFEEHN C=C[C@@H](C)CC1([C@@H](N)Cc2ccccc2)OCCO1 ZINC000584614833 348690774 /nfs/dbraw/zinc/69/07/74/348690774.db2.gz LCEOWEGJBRZFRJ-HIFRSBDPSA-N 0 3 261.365 2.512 10 30 CFEEHN Cc1nccn1C[C@@H]1CCCN1Cc1cccc(C#N)c1 ZINC000178293021 189103521 /nfs/dbraw/zinc/10/35/21/189103521.db2.gz CNNODTQEYPRGAR-KRWDZBQOSA-N 0 3 280.375 2.728 10 30 CFEEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC000180130479 189238954 /nfs/dbraw/zinc/23/89/54/189238954.db2.gz ANMXEPYOYJONME-ZDUSSCGKSA-N 0 3 286.404 2.789 10 30 CFEEHN Cc1cc(NCCN2CCC[C@H](C)C2)c(C#N)c(C)n1 ZINC000301812281 201212531 /nfs/dbraw/zinc/21/25/31/201212531.db2.gz ZZJJTHYGDVLOKQ-LBPRGKRZSA-N 0 3 272.396 2.714 10 30 CFEEHN C=C[C@](C)(O)CN(Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036115424 372560801 /nfs/dbraw/zinc/56/08/01/372560801.db2.gz ALXXMKDEYFKHDO-IRXDYDNUSA-N 0 3 293.382 2.744 10 30 CFEEHN C#CCOc1ccc2ccccc2c1CN[C@@H](CC)CO ZINC000045945655 373039343 /nfs/dbraw/zinc/03/93/43/373039343.db2.gz OTPNMZDZTHCDEA-HNNXBMFYSA-N 0 3 283.371 2.712 10 30 CFEEHN CCN1CCC[C@@H]1CN(C)c1ncc(C#N)cc1Cl ZINC000175168215 380011922 /nfs/dbraw/zinc/01/19/22/380011922.db2.gz XJHLHZGSLMNDPH-GFCCVEGCSA-N 0 3 278.787 2.527 10 30 CFEEHN Cc1nccn1C[C@@H]1CCCN1Cc1cc(C#N)cs1 ZINC000180132115 380624418 /nfs/dbraw/zinc/62/44/18/380624418.db2.gz AFVLVPSFEWANLI-AWEZNQCLSA-N 0 3 286.404 2.789 10 30 CFEEHN CC[C@H](CC#N)N[C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400367214 380856626 /nfs/dbraw/zinc/85/66/26/380856626.db2.gz SBYUIAGAEWKNPC-HZSPNIEDSA-N 0 3 295.427 2.914 10 30 CFEEHN C=CCN(CC=C)C(=O)CN[C@H](C)c1cccs1 ZINC000182225145 381030427 /nfs/dbraw/zinc/03/04/27/381030427.db2.gz VPYCDZSDXPPQEY-GFCCVEGCSA-N 0 3 264.394 2.599 10 30 CFEEHN Cc1nc(N2C[C@@H]3CCCN3C[C@@H]2C)c(Cl)cc1C#N ZINC000292811814 381847106 /nfs/dbraw/zinc/84/71/06/381847106.db2.gz ZDWJDCNYSUHRDV-GWCFXTLKSA-N 0 3 290.798 2.588 10 30 CFEEHN C[C@@H](CNc1c(C#N)cccc1C#N)N1CCC[C@H](C)C1 ZINC000302860103 382335939 /nfs/dbraw/zinc/33/59/39/382335939.db2.gz UMPHCWHUCTZHCD-KBPBESRZSA-N 0 3 282.391 2.962 10 30 CFEEHN C=CC[C@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000189094894 382540686 /nfs/dbraw/zinc/54/06/86/382540686.db2.gz SCGFJJCEDKCMID-HOTGVXAUSA-N 0 3 272.392 2.509 10 30 CFEEHN CO[C@H]1CCC12CCN(Cc1ccc(C#N)cc1)CC2 ZINC000257179642 383489701 /nfs/dbraw/zinc/48/97/01/383489701.db2.gz JCRHPTRQNPOXJO-INIZCTEOSA-N 0 3 270.376 2.949 10 30 CFEEHN N#Cc1cc2c(nc1NCc1ccc3c(c1)CNC3)CCC2 ZINC000262543773 383626470 /nfs/dbraw/zinc/62/64/70/383626470.db2.gz RLDPUPFEVMHUSJ-UHFFFAOYSA-N 0 3 290.370 2.657 10 30 CFEEHN C[C@@H]1C[C@@H](CNCc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000282342330 385287429 /nfs/dbraw/zinc/28/74/29/385287429.db2.gz VECPDPHVNCIICA-DABQJJPHSA-N 0 3 276.355 2.991 10 30 CFEEHN Cc1cc(C#N)ccc1CN1CCC(c2cc[nH]n2)CC1 ZINC000186194756 393542336 /nfs/dbraw/zinc/54/23/36/393542336.db2.gz YHNFIPAEYQQRLN-UHFFFAOYSA-N 0 3 280.375 2.969 10 30 CFEEHN C=CCC[C@H](O)CN(CCOC)Cc1ccsc1 ZINC000036099269 393521956 /nfs/dbraw/zinc/52/19/56/393521956.db2.gz WTIYFURMCDSJCV-AWEZNQCLSA-N 0 3 269.410 2.524 10 30 CFEEHN CC(C)N1C[C@H](Nc2ncc(C#N)cc2Cl)[C@@H](C)C1 ZINC000129830147 394095300 /nfs/dbraw/zinc/09/53/00/394095300.db2.gz FDYVAWNALYDUPU-GWCFXTLKSA-N 0 3 278.787 2.747 10 30 CFEEHN N#Cc1ccc(Cl)cc1NC(=O)CNC1CCCC1 ZINC000037386819 173170203 /nfs/dbraw/zinc/17/02/03/173170203.db2.gz ZDEOBEJJBHRWDJ-UHFFFAOYSA-N 0 3 277.755 2.682 10 30 CFEEHN C#CCOc1c(Cl)cc(CNC2CC2)cc1OC ZINC000037486609 173229868 /nfs/dbraw/zinc/22/98/68/173229868.db2.gz XYGILARUZIVXCI-UHFFFAOYSA-N 0 3 265.740 2.613 10 30 CFEEHN Cc1cc(C)c(C#N)c(NC[C@@H](C)N2CCCCC2)n1 ZINC000038029256 174019497 /nfs/dbraw/zinc/01/94/97/174019497.db2.gz AOWGTPPSIUYTJE-CQSZACIVSA-N 0 3 272.396 2.856 10 30 CFEEHN Cc1c(F)cccc1NC(=O)c1ccccc1C#CCN ZINC000043322873 175006383 /nfs/dbraw/zinc/00/63/83/175006383.db2.gz DJGBJJHLXICDKO-UHFFFAOYSA-N 0 3 282.318 2.697 10 30 CFEEHN Cc1ccc(C#N)c(NC[C@H](C)N2CCCCC2)n1 ZINC000043395581 175035577 /nfs/dbraw/zinc/03/55/77/175035577.db2.gz IPAXRYNBAHIJER-ZDUSSCGKSA-N 0 3 258.369 2.548 10 30 CFEEHN C[C@H](C#N)Oc1ccc(Cl)cc1CNC1CC1 ZINC000043513458 175061595 /nfs/dbraw/zinc/06/15/95/175061595.db2.gz KEICKXJDQCPXOD-SECBINFHSA-N 0 3 250.729 2.883 10 30 CFEEHN CCOc1cccc(CNC(C)C)c1O[C@H](C)C#N ZINC000043513524 175061624 /nfs/dbraw/zinc/06/16/24/175061624.db2.gz INHUDGPOGIPWTK-GFCCVEGCSA-N 0 3 262.353 2.874 10 30 CFEEHN C[C@@H](C#N)Oc1c(Br)cccc1CNC1CC1 ZINC000043513848 175061762 /nfs/dbraw/zinc/06/17/62/175061762.db2.gz CKNDQBUVPYFAQJ-VIFPVBQESA-N 0 3 295.180 2.992 10 30 CFEEHN CC[C@H]1CCCCN1C(=O)c1ccc(C#CCN)c(F)c1 ZINC000043582904 175070058 /nfs/dbraw/zinc/07/00/58/175070058.db2.gz ODRCMDZJYFGXAB-HNNXBMFYSA-N 0 3 288.366 2.541 10 30 CFEEHN NCC#Cc1ccsc1CN(Cc1ccco1)C1CC1 ZINC000043684248 175092877 /nfs/dbraw/zinc/09/28/77/175092877.db2.gz NBAPPCHHTCSREP-UHFFFAOYSA-N 0 3 286.400 2.816 10 30 CFEEHN N#Cc1ccc(OCc2sccc2C#CCN)cc1 ZINC000043684846 175093591 /nfs/dbraw/zinc/09/35/91/175093591.db2.gz QJECTVAKYKCEIV-UHFFFAOYSA-N 0 3 268.341 2.509 10 30 CFEEHN NCC#Cc1ccsc1COCc1cccs1 ZINC000043685416 175093681 /nfs/dbraw/zinc/09/36/81/175093681.db2.gz KRGHJSFATCMTAE-UHFFFAOYSA-N 0 3 263.387 2.837 10 30 CFEEHN Cc1nnc(SCc2sccc2C#CCN)s1 ZINC000043685839 175093685 /nfs/dbraw/zinc/09/36/85/175093685.db2.gz CSRCJYWAZWZGPF-UHFFFAOYSA-N 0 3 281.431 2.511 10 30 CFEEHN COc1cc(C)ccc1OCc1sccc1C#CCN ZINC000043685117 175093959 /nfs/dbraw/zinc/09/39/59/175093959.db2.gz MOXOFKLJKJFKDY-UHFFFAOYSA-N 0 3 287.384 2.954 10 30 CFEEHN Cc1ccc(OCc2sccc2C#CCN)cc1 ZINC000043684985 175094155 /nfs/dbraw/zinc/09/41/55/175094155.db2.gz VQNUXVNWSMUQQK-UHFFFAOYSA-N 0 3 257.358 2.946 10 30 CFEEHN CN(Cc1cc(C#CCN)cs1)Cc1ccccc1 ZINC000043688810 175096015 /nfs/dbraw/zinc/09/60/15/175096015.db2.gz KJGAVQAURZZWIB-UHFFFAOYSA-N 0 3 270.401 2.690 10 30 CFEEHN CCCCCN1C(=O)c2ccc(N(C)C)cc2C1C#N ZINC000071679103 176243874 /nfs/dbraw/zinc/24/38/74/176243874.db2.gz VWEGRTQBFJVAIQ-HNNXBMFYSA-N 0 3 271.364 2.963 10 30 CFEEHN C=CCOc1ccccc1CNCCn1cc(C)cn1 ZINC000105908724 261363454 /nfs/dbraw/zinc/36/34/54/261363454.db2.gz PQXNDYPCMYMQSL-UHFFFAOYSA-N 0 3 271.364 2.546 10 30 CFEEHN C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000185153375 329266790 /nfs/dbraw/zinc/26/67/90/329266790.db2.gz ZVSNGZAOBVBFPC-KGLIPLIRSA-N 0 3 254.418 2.681 10 30 CFEEHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424076446 330220728 /nfs/dbraw/zinc/22/07/28/330220728.db2.gz LVCQVCTVHGLYSD-ZWNOBZJWSA-N 0 3 279.771 2.538 10 30 CFEEHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000424104642 330234139 /nfs/dbraw/zinc/23/41/39/330234139.db2.gz UZAWQCOTKOZSQT-ZFWWWQNUSA-N 0 3 273.380 2.502 10 30 CFEEHN C[C@](O)(CN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000227351588 333281271 /nfs/dbraw/zinc/28/12/71/333281271.db2.gz VPAJTRDYNZHBJW-INIZCTEOSA-N 0 3 258.365 2.520 10 30 CFEEHN CCNC(C)(C)C(=O)Nc1sc(C)c(C)c1C#N ZINC000061298879 519908230 /nfs/dbraw/zinc/90/82/30/519908230.db2.gz NBXMFTFSCQXCNN-UHFFFAOYSA-N 0 3 265.382 2.563 10 30 CFEEHN CCCCCN(C)Cc1ccc(C#CCO)cc1F ZINC000049617973 520152672 /nfs/dbraw/zinc/15/26/72/520152672.db2.gz QBOJGKIPKHNMIH-UHFFFAOYSA-N 0 3 263.356 2.792 10 30 CFEEHN CC(C)C[C@H](CN(C)C)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000049558161 519341859 /nfs/dbraw/zinc/34/18/59/519341859.db2.gz SJYSHUZALPMBHV-CYBMUJFWSA-N 0 3 290.367 2.855 10 30 CFEEHN CC(C)C[C@@H](C)OCCOc1ccc(C#CCN)cc1 ZINC000049610803 519774045 /nfs/dbraw/zinc/77/40/45/519774045.db2.gz YRDXUHTXYAKLBV-OAHLLOKOSA-N 0 3 275.392 2.827 10 30 CFEEHN CCCCCOCCOc1ccc(C#CCN)cc1 ZINC000049611066 520245405 /nfs/dbraw/zinc/24/54/05/520245405.db2.gz RZENRMMWMDOHLE-UHFFFAOYSA-N 0 3 261.365 2.582 10 30 CFEEHN CCCCC[C@H](C)NC(=O)c1cc(F)ccc1C#CCN ZINC000049105958 520306939 /nfs/dbraw/zinc/30/69/39/520306939.db2.gz VEWCSYWIXLNPJE-ZDUSSCGKSA-N 0 3 290.382 2.835 10 30 CFEEHN CCC[C@@H](C)C(=O)N[C@@H](C)c1cccc(C#CCN)c1 ZINC000049587104 520613171 /nfs/dbraw/zinc/61/31/71/520613171.db2.gz TULQGULYFKPFAK-KGLIPLIRSA-N 0 3 272.392 2.610 10 30 CFEEHN CCCN(Cc1ccc(C#CCO)cc1F)C(C)C ZINC000049617657 521681882 /nfs/dbraw/zinc/68/18/82/521681882.db2.gz GSTSDJWCEUADDS-UHFFFAOYSA-N 0 3 263.356 2.790 10 30 CFEEHN CC[C@H]1CCCN(Cc2ccc(F)cc2C#CCO)C1 ZINC000049613079 523090747 /nfs/dbraw/zinc/09/07/47/523090747.db2.gz AKHCWYSJSWEXHQ-AWEZNQCLSA-N 0 3 275.367 2.792 10 30 CFEEHN CC[C@H]1CCCN1Cc1ccc(C#CCO)cc1F ZINC000049615152 523110365 /nfs/dbraw/zinc/11/03/65/523110365.db2.gz UWRXYWYNWNXKPU-HNNXBMFYSA-N 0 3 261.340 2.544 10 30 CFEEHN CN(Cc1ccc(C#CCN)cc1)Cc1ccccc1F ZINC000049609730 523204035 /nfs/dbraw/zinc/20/40/35/523204035.db2.gz FNHMLFXCJZABRK-UHFFFAOYSA-N 0 3 282.362 2.768 10 30 CFEEHN CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#CCN)s1 ZINC000049124788 523220620 /nfs/dbraw/zinc/22/06/20/523220620.db2.gz NUNVPXHSMMLIFF-TZMCWYRMSA-N 0 3 290.432 2.757 10 30 CFEEHN CC[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C#CCN ZINC000049124759 523222301 /nfs/dbraw/zinc/22/23/01/523222301.db2.gz CAVDVQKHPMCLOH-RHSMWYFYSA-N 0 3 284.403 2.695 10 30 CFEEHN CC[C@@H]1CCCN1Cc1cc(C#CCCO)ccc1OC ZINC000049615115 523269876 /nfs/dbraw/zinc/26/98/76/523269876.db2.gz VASQQMFFCDFHKR-QGZVFWFLSA-N 0 3 287.403 2.804 10 30 CFEEHN CN(Cc1cccc(C#CCN)c1)c1ccccc1 ZINC000049608424 523290682 /nfs/dbraw/zinc/29/06/82/523290682.db2.gz OITQTBAAHGOULG-UHFFFAOYSA-N 0 3 250.345 2.633 10 30 CFEEHN CN(Cc1ccccc1C#CCN)c1ccccc1 ZINC000049608418 523358771 /nfs/dbraw/zinc/35/87/71/523358771.db2.gz VUDNAAHIMXFESP-UHFFFAOYSA-N 0 3 250.345 2.633 10 30 CFEEHN CC[C@H](C)N(CC)Cc1cc(C#CCO)ccc1OC ZINC000049617600 523934170 /nfs/dbraw/zinc/93/41/70/523934170.db2.gz YFGMYJYYUIUDRP-AWEZNQCLSA-N 0 3 275.392 2.659 10 30 CFEEHN C[C@H]1CCCN(Cc2ccc(C#CCCO)cc2F)C1 ZINC000049616022 524093502 /nfs/dbraw/zinc/09/35/02/524093502.db2.gz VWIRENJCNFUUGH-AWEZNQCLSA-N 0 3 275.367 2.792 10 30 CFEEHN C[C@H]1CCCN1Cc1ccc(C#CCCO)cc1F ZINC000049615210 524119199 /nfs/dbraw/zinc/11/91/99/524119199.db2.gz ZOBZPJNMBOYXFP-ZDUSSCGKSA-N 0 3 261.340 2.544 10 30 CFEEHN COc1ccc(CSCC(C)C)cc1C#CCN ZINC000049611458 524123763 /nfs/dbraw/zinc/12/37/63/524123763.db2.gz XNZGVBHLAVINKS-UHFFFAOYSA-N 0 3 263.406 2.895 10 30 CFEEHN Cc1cc(C)c(C#N)c(N[C@H](CN(C)C)C(C)C)n1 ZINC000049218604 524216904 /nfs/dbraw/zinc/21/69/04/524216904.db2.gz HVNLMWVOFMHBCK-CQSZACIVSA-N 0 3 260.385 2.568 10 30 CFEEHN Cc1cccc(CN(C)Cc2cccc(C#CCO)c2)c1 ZINC000049615094 524377003 /nfs/dbraw/zinc/37/70/03/524377003.db2.gz ZFVMBZSQXNFPDR-UHFFFAOYSA-N 0 3 279.383 2.971 10 30 CFEEHN C[C@H](NC(=O)c1ccccc1C#CCN)C1CCCCC1 ZINC000052344707 525236429 /nfs/dbraw/zinc/23/64/29/525236429.db2.gz JTAKWQQFXODNPT-AWEZNQCLSA-N 0 3 284.403 2.695 10 30 CFEEHN C[C@@H](NC(=O)c1ccc(C#CCN)s1)C1CCCCC1 ZINC000052344712 525321969 /nfs/dbraw/zinc/32/19/69/525321969.db2.gz GSQIACTYBNQNMY-GFCCVEGCSA-N 0 3 290.432 2.757 10 30 CFEEHN C[C@@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCCO1 ZINC000162618211 525518720 /nfs/dbraw/zinc/51/87/20/525518720.db2.gz CBLXZJNDKUITAJ-QMTHXVAHSA-N 0 3 264.756 2.869 10 30 CFEEHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(C#CCO)cc1F ZINC000050566730 525641784 /nfs/dbraw/zinc/64/17/84/525641784.db2.gz VIDGDKFYYFFVDU-UONOGXRCSA-N 0 3 275.367 2.790 10 30 CFEEHN Cc1ccsc1C(=O)N[C@@H](C)c1ccc(C#CCN)cc1 ZINC000049586777 525826025 /nfs/dbraw/zinc/82/60/25/525826025.db2.gz SUGOUHKQAQXWKH-ZDUSSCGKSA-N 0 3 298.411 2.858 10 30 CFEEHN Cc1ccc(C(=O)N(C)Cc2cccc(C#CCN)c2)s1 ZINC000049586951 526060955 /nfs/dbraw/zinc/06/09/55/526060955.db2.gz WHVRIEAZVBFGJR-UHFFFAOYSA-N 0 3 298.411 2.639 10 30 CFEEHN N#Cc1c(CN2CCC[C@H]2CCCO)cn2ccccc12 ZINC000052762974 526518597 /nfs/dbraw/zinc/51/85/97/526518597.db2.gz LXXJACYOIIKWSG-HNNXBMFYSA-N 0 3 283.375 2.548 10 30 CFEEHN NCC#Cc1cc(CSc2ccccn2)ccc1F ZINC000049611386 527146407 /nfs/dbraw/zinc/14/64/07/527146407.db2.gz LEBQQUSNQMCYDB-UHFFFAOYSA-N 0 3 272.348 2.823 10 30 CFEEHN NCC#Cc1cccc(OCCOC2CCCCC2)c1 ZINC000049610322 527153115 /nfs/dbraw/zinc/15/31/15/527153115.db2.gz GIVCNEXDXGIXJG-UHFFFAOYSA-N 0 3 273.376 2.725 10 30 CFEEHN NCC#Cc1cccc(OCCOc2cccc(F)c2)c1 ZINC000049610564 527153164 /nfs/dbraw/zinc/15/31/64/527153164.db2.gz OCCFUTCAVFJZGC-UHFFFAOYSA-N 0 3 285.318 2.594 10 30 CFEEHN NCC#Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC000050886308 527153192 /nfs/dbraw/zinc/15/31/92/527153192.db2.gz LIXPRQUGTSCVFB-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN OCC#Cc1ccccc1CN1CCc2ccccc2C1 ZINC000049616472 527521038 /nfs/dbraw/zinc/52/10/38/527521038.db2.gz SIOPHOYBXSJJIJ-UHFFFAOYSA-N 0 3 277.367 2.589 10 30 CFEEHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000042335614 620659995 /nfs/dbraw/zinc/65/99/95/620659995.db2.gz OYISAYSYPAEDKQ-KBPBESRZSA-N 0 3 272.392 2.599 10 30 CFEEHN CO[C@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000069952361 625249900 /nfs/dbraw/zinc/24/99/00/625249900.db2.gz YBIQQNIYCMNOFT-BBRMVZONSA-N 0 3 266.300 2.646 10 30 CFEEHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000246081241 650852288 /nfs/dbraw/zinc/85/22/88/650852288.db2.gz FIKXTFQBFVPVOO-RWMBFGLXSA-N 0 3 279.343 2.796 10 30 CFEEHN C[C@H]1CN(CCCOc2cccc(C#N)c2)CCS1 ZINC000127295002 187294770 /nfs/dbraw/zinc/29/47/70/187294770.db2.gz NDURQNILQNENCK-ZDUSSCGKSA-N 0 3 276.405 2.764 10 30 CFEEHN CC(C#N)C(=O)c1cc(Br)ccc1F ZINC000036931609 346324480 /nfs/dbraw/zinc/32/44/80/346324480.db2.gz QKTXDMUUUAOSOA-ZCFIWIBFSA-N 0 3 256.074 2.931 10 30 CFEEHN Cc1cc(C#N)ccc1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000165498129 348039836 /nfs/dbraw/zinc/03/98/36/348039836.db2.gz VOKDTMDKSZUDBW-QZTJIDSGSA-N 0 3 284.403 2.994 10 30 CFEEHN Cc1cc(C#N)ccc1CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000165495670 348040315 /nfs/dbraw/zinc/04/03/15/348040315.db2.gz UFPKNHCJDZHBAI-YJBOKZPZSA-N 0 3 283.419 2.925 10 30 CFEEHN CC[C@H](N)C#Cc1cc(Br)ccc1F ZINC000229905283 348203564 /nfs/dbraw/zinc/20/35/64/348203564.db2.gz REABLQGHXBDTFX-JTQLQIEISA-N 0 3 256.118 2.677 10 30 CFEEHN CCC[C@@H](N)C#Cc1sccc1Br ZINC000229906452 348203793 /nfs/dbraw/zinc/20/37/93/348203793.db2.gz XGTWHYFXQUXXBA-MRVPVSSYSA-N 0 3 258.184 2.990 10 30 CFEEHN C=CCN1CC[C@H]2[C@@H](C1)C2(Br)Br ZINC000307168204 348396766 /nfs/dbraw/zinc/39/67/66/348396766.db2.gz UJRRKTWKEIWUIJ-JGVFFNPUSA-N 0 3 295.018 2.610 10 30 CFEEHN CN(CCN[C@H]1CCCC[C@@H]1C#N)Cc1ccccc1 ZINC000386725817 348536074 /nfs/dbraw/zinc/53/60/74/348536074.db2.gz TZVFFASMWNGNKY-SJORKVTESA-N 0 3 271.408 2.790 10 30 CFEEHN CN(C)CC/N=C1/c2ccccc2COc2ccccc21 ZINC000584614597 348690803 /nfs/dbraw/zinc/69/08/03/348690803.db2.gz RVACZPAXUFAZHY-HNENSFHCSA-N 0 3 280.371 2.978 10 30 CFEEHN N#Cc1cc(F)ccc1NCCCNCc1cccnc1 ZINC000111027534 186346012 /nfs/dbraw/zinc/34/60/12/186346012.db2.gz CEZZMRFLJIFWTJ-UHFFFAOYSA-N 0 3 284.338 2.684 10 30 CFEEHN CCc1nccn1[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000122876513 187056975 /nfs/dbraw/zinc/05/69/75/187056975.db2.gz SWXQGMPXOLYWIH-CYBMUJFWSA-N 0 3 284.363 2.747 10 30 CFEEHN N#Cc1ccc([C@@H]2CNCCN2Cc2ccccc2)cc1 ZINC000616635782 352393827 /nfs/dbraw/zinc/39/38/27/352393827.db2.gz MEZQNIKOWAIUNX-SFHVURJKSA-N 0 3 277.371 2.705 10 30 CFEEHN N#Cc1ccccc1[C@@H]1CNCCN1Cc1ccccc1 ZINC000616636648 352394186 /nfs/dbraw/zinc/39/41/86/352394186.db2.gz WQEBIIZKWVRHOE-SFHVURJKSA-N 0 3 277.371 2.705 10 30 CFEEHN C#CCSCCNCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000152928145 188053209 /nfs/dbraw/zinc/05/32/09/188053209.db2.gz WMQMJYRVMRGKJV-UHFFFAOYSA-N 0 3 284.768 2.704 10 30 CFEEHN CC(C)[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000012669069 371980375 /nfs/dbraw/zinc/98/03/75/371980375.db2.gz NVNIZEAWLZNZML-VXGBXAGGSA-N 0 3 259.353 2.519 10 30 CFEEHN C#CCOc1ccc2ccccc2c1CNCCOC ZINC000045945874 373039038 /nfs/dbraw/zinc/03/90/38/373039038.db2.gz QGGWHDQACMMMJU-UHFFFAOYSA-N 0 3 269.344 2.588 10 30 CFEEHN COc1ccc(C[C@H](C)N[C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000061891566 373736636 /nfs/dbraw/zinc/73/66/36/373736636.db2.gz DAVOCTOUZXQCEK-NWANDNLSSA-N 0 3 288.391 2.917 10 30 CFEEHN COc1ccccc1C[C@H](C)N[C@H]1CCC[C@@H]1C#N ZINC000061892296 373739180 /nfs/dbraw/zinc/73/91/80/373739180.db2.gz LUSQMQDNJKFSIP-CFVMTHIKSA-N 0 3 258.365 2.908 10 30 CFEEHN C=CCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000067734210 373996326 /nfs/dbraw/zinc/99/63/26/373996326.db2.gz SQMGSBCWUDTMPB-MRXNPFEDSA-N 0 3 287.407 2.526 10 30 CFEEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1 ZINC000083704521 374754609 /nfs/dbraw/zinc/75/46/09/374754609.db2.gz DGEKBMFWMWAILZ-RHSMWYFYSA-N 0 3 269.392 2.617 10 30 CFEEHN C=C(Cl)CN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000151115249 378295963 /nfs/dbraw/zinc/29/59/63/378295963.db2.gz OVPFNCMXGRKJKH-CYBMUJFWSA-N 0 3 265.788 2.876 10 30 CFEEHN C=C(Cl)CN[C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400446300 380862601 /nfs/dbraw/zinc/86/26/01/380862601.db2.gz PPTUWAFNFOVDGF-NEPJUHHUSA-N 0 3 288.819 2.974 10 30 CFEEHN N#Cc1cccc(OCCCN2C[C@@H]3CCC[C@H]32)c1 ZINC000357623868 382256018 /nfs/dbraw/zinc/25/60/18/382256018.db2.gz UIKQNKIHIOJRQH-GOEBONIOSA-N 0 3 256.349 2.811 10 30 CFEEHN C[C@H](c1cccc(C#N)c1)N1CCN2CCCC[C@H]2C1 ZINC000249259992 383335750 /nfs/dbraw/zinc/33/57/50/383335750.db2.gz HLAGHGOMJMFCHQ-PBHICJAKSA-N 0 3 269.392 2.789 10 30 CFEEHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000249283375 383336489 /nfs/dbraw/zinc/33/64/89/383336489.db2.gz OHZIZLXOUIEXKR-XJKSGUPXSA-N 0 3 280.375 2.842 10 30 CFEEHN N#Cc1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)cc1F ZINC000248824291 383293916 /nfs/dbraw/zinc/29/39/16/383293916.db2.gz GLVBWMNZWDQWSG-RDJZCZTQSA-N 0 3 288.366 2.824 10 30 CFEEHN N#Cc1cccc(CN2C[C@@H](CO)[C@@H](c3ccsc3)C2)c1 ZINC000249556945 383350946 /nfs/dbraw/zinc/35/09/46/383350946.db2.gz KDHNOJRDOAWOSY-DLBZAZTESA-N 0 3 298.411 2.828 10 30 CFEEHN Cc1nccn1C[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000192058387 130360906 /nfs/dbraw/zinc/36/09/06/130360906.db2.gz OFPLHXXAMQACSY-SFHVURJKSA-N 0 3 279.387 2.708 10 30 CFEEHN CC(C)C1S/C(=N\c2ccc(F)cc2)NC1=O ZINC000028826733 171577090 /nfs/dbraw/zinc/57/70/90/171577090.db2.gz NACOMKOHQVQPTQ-SNVBAGLBSA-N 0 3 252.314 2.701 10 30 CFEEHN C=C(Cl)CNC[C@H](c1cccc(OC)c1)N(C)C ZINC000037488958 173231002 /nfs/dbraw/zinc/23/10/02/173231002.db2.gz UTMUXZCXMUJZAL-CQSZACIVSA-N 0 3 268.788 2.640 10 30 CFEEHN C[C@H](CNc1ccc(C#N)cc1F)N1CCCCC1 ZINC000038029295 174019709 /nfs/dbraw/zinc/01/97/09/174019709.db2.gz PDBIHWGQZIIFRG-GFCCVEGCSA-N 0 3 261.344 2.984 10 30 CFEEHN Cc1ccc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000038097547 174111174 /nfs/dbraw/zinc/11/11/74/174111174.db2.gz SODNCYPZDUXABT-IUODEOHRSA-N 0 3 270.332 2.844 10 30 CFEEHN C=CCOc1ccccc1CN[C@@H]1CCCN(CC)C1 ZINC000040502764 174299394 /nfs/dbraw/zinc/29/93/94/174299394.db2.gz MDUXJCTUIHZXQM-MRXNPFEDSA-N 0 3 274.408 2.825 10 30 CFEEHN NCC#Cc1ccccc1CN(CC(F)(F)F)C1CC1 ZINC000042780072 174875784 /nfs/dbraw/zinc/87/57/84/174875784.db2.gz YXJTZUPVUDOWJY-UHFFFAOYSA-N 0 3 282.309 2.524 10 30 CFEEHN CCN[C@@H]1CC(C)(C)Oc2cc(OCC#N)ccc21 ZINC000043460422 175051064 /nfs/dbraw/zinc/05/10/64/175051064.db2.gz YWJIFZBOLFNCRD-CYBMUJFWSA-N 0 3 260.337 2.801 10 30 CFEEHN CN(Cc1ccc(C#CCN)s1)Cc1ccccc1F ZINC000043683924 175092240 /nfs/dbraw/zinc/09/22/40/175092240.db2.gz CMGPURFZYUUASP-UHFFFAOYSA-N 0 3 288.391 2.829 10 30 CFEEHN NCC#Cc1ccsc1COc1cccc(F)c1 ZINC000043684870 175093492 /nfs/dbraw/zinc/09/34/92/175093492.db2.gz NLOXBFSSHZOJIR-UHFFFAOYSA-N 0 3 261.321 2.776 10 30 CFEEHN NCC#Cc1ccc(COCCc2cccs2)s1 ZINC000043685424 175093938 /nfs/dbraw/zinc/09/39/38/175093938.db2.gz NJZOFSVJADNPOQ-UHFFFAOYSA-N 0 3 277.414 2.879 10 30 CFEEHN NCC#Cc1ccc(COc2ccc(F)c(F)c2)s1 ZINC000043685282 175094159 /nfs/dbraw/zinc/09/41/59/175094159.db2.gz TYDCSJVSFHBHLW-UHFFFAOYSA-N 0 3 279.311 2.916 10 30 CFEEHN COc1ccc(C#CCO)cc1CN(C)CC(C)(C)C ZINC000045086818 175303957 /nfs/dbraw/zinc/30/39/57/175303957.db2.gz ATLKEGUFNLNLHD-UHFFFAOYSA-N 0 3 275.392 2.517 10 30 CFEEHN CN(Cc1ccc(C#CCCO)s1)CC(C)(C)C ZINC000045086822 175304153 /nfs/dbraw/zinc/30/41/53/175304153.db2.gz VETCVXQIEPXHFO-UHFFFAOYSA-N 0 3 265.422 2.960 10 30 CFEEHN CN(Cc1sccc1C#CCO)CC(C)(C)C ZINC000045086833 175304184 /nfs/dbraw/zinc/30/41/84/175304184.db2.gz HFIGMYSNSGFIDV-UHFFFAOYSA-N 0 3 251.395 2.570 10 30 CFEEHN Cc1cccc2c1C(=O)N(CCCOC(C)C)C2C#N ZINC000071678180 176242863 /nfs/dbraw/zinc/24/28/63/176242863.db2.gz BGIXKRILQZGDCV-CQSZACIVSA-N 0 3 272.348 2.831 10 30 CFEEHN CC[C@H](C)N1C(=O)c2c(cccc2N(C)C)C1C#N ZINC000071679255 176244471 /nfs/dbraw/zinc/24/44/71/176244471.db2.gz APLIGDXBGGWXRL-GXFFZTMASA-N 0 3 257.337 2.572 10 30 CFEEHN C=CCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CCC1 ZINC000249713148 261257293 /nfs/dbraw/zinc/25/72/93/261257293.db2.gz ZIOFHNZLPWPPRL-UONOGXRCSA-N 0 3 264.413 2.578 10 30 CFEEHN CN(C)C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185761820 327844664 /nfs/dbraw/zinc/84/46/64/327844664.db2.gz LALMHGFCUTUIHK-XIRDDKMYSA-N 0 3 271.408 2.961 10 30 CFEEHN Cc1ncc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)c(=O)[n-]1 ZINC000262154935 330000834 /nfs/dbraw/zinc/00/08/34/330000834.db2.gz AKSNFNFXEQFWGD-UHFFFAOYSA-N 0 3 299.378 2.541 10 30 CFEEHN N#C[C@@H]1CCC[C@@H]1NC1CCN(c2ccccc2)CC1 ZINC000224376660 333220047 /nfs/dbraw/zinc/22/00/47/333220047.db2.gz PSHRWJBSWHPMAW-YOEHRIQHSA-N 0 3 269.392 2.937 10 30 CFEEHN C[C@@H]1CN2CCCC[C@H]2CN1CCCC(C)(C)C#N ZINC000252606212 334383168 /nfs/dbraw/zinc/38/31/68/334383168.db2.gz QJDFWZZPVHCEHI-CABCVRRESA-N 0 3 263.429 2.875 10 30 CFEEHN CCCN(CCN(C)C)[C@@H](CC#N)c1ccccc1 ZINC000055020682 521658167 /nfs/dbraw/zinc/65/81/67/521658167.db2.gz HDSOUWQCVYVFKR-INIZCTEOSA-N 0 3 259.397 2.915 10 30 CFEEHN CCCCC[C@H](C)NC(=O)c1cccc(C#CCN)c1 ZINC000049105947 520308171 /nfs/dbraw/zinc/30/81/71/520308171.db2.gz XCWYXJYXLMFGSO-AWEZNQCLSA-N 0 3 272.392 2.695 10 30 CFEEHN CCN(Cc1ccc(C#CCO)cc1F)CC(C)C ZINC000049617259 521297948 /nfs/dbraw/zinc/29/79/48/521297948.db2.gz SARDKXIPPYOBAC-UHFFFAOYSA-N 0 3 263.356 2.647 10 30 CFEEHN CCCN(Cc1ccc(F)cc1C#CCO)C1CC1 ZINC000049617697 521684504 /nfs/dbraw/zinc/68/45/04/521684504.db2.gz LFVSFOHEOPCZEE-UHFFFAOYSA-N 0 3 261.340 2.544 10 30 CFEEHN COc1ccc(C#CCCO)cc1CN1CCCC[C@H]1C ZINC000049615701 523510889 /nfs/dbraw/zinc/51/08/89/523510889.db2.gz BSHXKSZJAAHWPZ-OAHLLOKOSA-N 0 3 287.403 2.804 10 30 CFEEHN COc1ccc(C#CCN)cc1COc1ccccc1F ZINC000049610448 523516273 /nfs/dbraw/zinc/51/62/73/523516273.db2.gz JGOZONHKGLHQAN-UHFFFAOYSA-N 0 3 285.318 2.724 10 30 CFEEHN CCn1cnnc1[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000195520291 523601249 /nfs/dbraw/zinc/60/12/49/523601249.db2.gz ADRRKKLFRDMLNT-MRXNPFEDSA-N 0 3 295.390 2.549 10 30 CFEEHN C[C@@H]1CCCC[C@@H]1OCCOc1ccc(C#CCN)cc1 ZINC000049610670 524150328 /nfs/dbraw/zinc/15/03/28/524150328.db2.gz GXFSSWNBYCIKBH-QAPCUYQASA-N 0 3 287.403 2.971 10 30 CFEEHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(F)c(C#CCO)c1 ZINC000049616926 524363443 /nfs/dbraw/zinc/36/34/43/524363443.db2.gz KJOSGJDKZUKWPY-OKILXGFUSA-N 0 3 275.367 2.932 10 30 CFEEHN C[C@@H]1CCC[C@H](OCCOc2cccc(C#CCN)c2)C1 ZINC000049610994 524411751 /nfs/dbraw/zinc/41/17/51/524411751.db2.gz VHSYVQPLYRLZDG-WBVHZDCISA-N 0 3 287.403 2.971 10 30 CFEEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1cc(C#N)ccc1F ZINC000083704540 524686170 /nfs/dbraw/zinc/68/61/70/524686170.db2.gz DZSZYMCKLXWQCM-XJKSGUPXSA-N 0 3 287.382 2.756 10 30 CFEEHN C[C@H](NC(=O)CC1CCCC1)c1ccc(C#CCN)cc1 ZINC000049586743 524924976 /nfs/dbraw/zinc/92/49/76/524924976.db2.gz PXRHGDNRTGZBTD-AWEZNQCLSA-N 0 3 284.403 2.754 10 30 CFEEHN C[C@H]1Cc2ccccc2N1Cc1ccc(C#CCN)cc1 ZINC000049608555 524994189 /nfs/dbraw/zinc/99/41/89/524994189.db2.gz FQTNSMYAZJNBHX-HNNXBMFYSA-N 0 3 276.383 2.948 10 30 CFEEHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(F)c(C#CCO)c1 ZINC000050566736 525642696 /nfs/dbraw/zinc/64/26/96/525642696.db2.gz WKRVFUFYXJDHOM-UONOGXRCSA-N 0 3 275.367 2.790 10 30 CFEEHN Cc1ccc([C@H](C)NC(=O)c2ccc(C#CCN)cc2)s1 ZINC000049189283 525910481 /nfs/dbraw/zinc/91/04/81/525910481.db2.gz OCCCZDZDZDSACN-ZDUSSCGKSA-N 0 3 298.411 2.858 10 30 CFEEHN COc1cccc(OCc2ccc(C#CCN)cc2F)c1 ZINC000049610435 526236686 /nfs/dbraw/zinc/23/66/86/526236686.db2.gz UNQSRWVMOSLVCQ-UHFFFAOYSA-N 0 3 285.318 2.724 10 30 CFEEHN N#Cc1ccc(NC(=O)Nc2cccc(CN)c2)cc1 ZINC000063191047 526656473 /nfs/dbraw/zinc/65/64/73/526656473.db2.gz IOBNQDDKRAZKCP-UHFFFAOYSA-N 0 3 266.304 2.661 10 30 CFEEHN NCC#Cc1cc(Cn2cnc3ccccc32)ccc1F ZINC000049610108 527147224 /nfs/dbraw/zinc/14/72/24/527147224.db2.gz NGRXHXKKJKIYQJ-UHFFFAOYSA-N 0 3 279.318 2.534 10 30 CFEEHN NCC#Cc1cc(F)ccc1COc1ccc(F)cc1F ZINC000049610389 527148888 /nfs/dbraw/zinc/14/88/88/527148888.db2.gz AHPWYXMDWRZSHA-UHFFFAOYSA-N 0 3 291.272 2.993 10 30 CFEEHN NCC#Cc1ccc(Cn2cnc3ccccc32)c(F)c1 ZINC000049610105 527150812 /nfs/dbraw/zinc/15/08/12/527150812.db2.gz YSVYRMMOOXCFCK-UHFFFAOYSA-N 0 3 279.318 2.534 10 30 CFEEHN NCC#Cc1cccc(COc2cccc(F)c2)c1 ZINC000049610566 527153296 /nfs/dbraw/zinc/15/32/96/527153296.db2.gz GJUVNNOWUCUQCW-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN NCC#Cc1cccc(COCc2cccs2)c1 ZINC000049611171 527153774 /nfs/dbraw/zinc/15/37/74/527153774.db2.gz ZHBHOFWIGHLAMO-UHFFFAOYSA-N 0 3 257.358 2.775 10 30 CFEEHN OCCC#Cc1ccc(CN2CCCCCC2)c(F)c1 ZINC000049616125 527530795 /nfs/dbraw/zinc/53/07/95/527530795.db2.gz ZURAMVLYRPVIJF-UHFFFAOYSA-N 0 3 275.367 2.936 10 30 CFEEHN C#CCCNCc1ccc(OC)cc1Br ZINC000308790771 618808034 /nfs/dbraw/zinc/80/80/34/618808034.db2.gz CUNZGISOXKVGPW-UHFFFAOYSA-N 0 3 268.154 2.571 10 30 CFEEHN CC(C)(C)OC(=O)N1CCC[C@@H](CNCC(C)(C)C#N)C1 ZINC000168920149 618202835 /nfs/dbraw/zinc/20/28/35/618202835.db2.gz DWTNMJIHWSFOSM-ZDUSSCGKSA-N 0 3 295.427 2.773 10 30 CFEEHN N#Cc1ccc([C@H](O)CN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000127701669 187327666 /nfs/dbraw/zinc/32/76/66/187327666.db2.gz VSTLGGDKTSFFFV-IAGOWNOFSA-N 0 3 296.374 2.542 10 30 CFEEHN N=C(N)Nc1c(Cl)cc(Br)cc1Cl ZINC000052091839 346514031 /nfs/dbraw/zinc/51/40/31/346514031.db2.gz QWPYNNHKBOMXBA-UHFFFAOYSA-N 0 3 282.956 2.661 10 30 CFEEHN CCc1ccc([C@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000123182426 347818642 /nfs/dbraw/zinc/81/86/42/347818642.db2.gz MGJRUMXDNBWJKN-UGSOOPFHSA-N 0 3 299.418 2.708 10 30 CFEEHN C#CCCCCC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000123640825 347820628 /nfs/dbraw/zinc/82/06/28/347820628.db2.gz MBUBPNQZQNYXHN-INIZCTEOSA-N 0 3 286.419 2.817 10 30 CFEEHN C=C[C@H](NC)c1csc(I)c1 ZINC000130531052 347871836 /nfs/dbraw/zinc/87/18/36/347871836.db2.gz YYASAAXUDGWIGH-ZETCQYMHSA-N 0 3 279.146 2.799 10 30 CFEEHN C=C[C@@H](CC(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000128721459 187386205 /nfs/dbraw/zinc/38/62/05/187386205.db2.gz FNAJFHSXMCRFBB-GOEBONIOSA-N 0 3 272.392 2.509 10 30 CFEEHN CCN1CCC[C@](C#N)(Nc2ccc(OC)cc2)CC1 ZINC000086849067 179358163 /nfs/dbraw/zinc/35/81/63/179358163.db2.gz GYOAJDYYHRKSMB-INIZCTEOSA-N 0 3 273.380 2.875 10 30 CFEEHN Cc1cc(C#N)ccc1CN1C[C@H]2CCCCN2C[C@H]1C ZINC000229150775 348199098 /nfs/dbraw/zinc/19/90/98/348199098.db2.gz UFPKNHCJDZHBAI-CRAIPNDOSA-N 0 3 283.419 2.925 10 30 CFEEHN C=C[C@H](C)CC1([C@@H](N)Cc2ccccc2)OCCO1 ZINC000584614835 348690871 /nfs/dbraw/zinc/69/08/71/348690871.db2.gz LCEOWEGJBRZFRJ-ZFWWWQNUSA-N 0 3 261.365 2.512 10 30 CFEEHN C=CCCC(C)(C)CNCc1c(C)nn(C)c1OC ZINC000631217930 355356717 /nfs/dbraw/zinc/35/67/17/355356717.db2.gz ISRVISDRGINAJM-UHFFFAOYSA-N 0 3 265.401 2.819 10 30 CFEEHN C#CCOc1ccc2ccccc2c1CN[C@H](CC)CO ZINC000045945657 373038270 /nfs/dbraw/zinc/03/82/70/373038270.db2.gz OTPNMZDZTHCDEA-OAHLLOKOSA-N 0 3 283.371 2.712 10 30 CFEEHN C#CCOc1c(CN[C@H](C)CC)cccc1OCC ZINC000045945802 373038862 /nfs/dbraw/zinc/03/88/62/373038862.db2.gz GALLORYZYIYUNB-CYBMUJFWSA-N 0 3 261.365 2.985 10 30 CFEEHN C#CCOc1ccccc1CN1CCC(c2cc[nH]n2)CC1 ZINC000092810906 375157729 /nfs/dbraw/zinc/15/77/29/375157729.db2.gz ZQDZCNBAYWXJGG-UHFFFAOYSA-N 0 3 295.386 2.801 10 30 CFEEHN C=CCOc1cccc(CN2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000128416854 377334307 /nfs/dbraw/zinc/33/43/07/377334307.db2.gz WFACRMYIZGTTSA-INIZCTEOSA-N 0 3 297.402 2.974 10 30 CFEEHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000249283371 383336769 /nfs/dbraw/zinc/33/67/69/383336769.db2.gz OHZIZLXOUIEXKR-CZUORRHYSA-N 0 3 280.375 2.842 10 30 CFEEHN C#CC(C)(C)NCc1cccc(I)c1 ZINC000307434948 393513580 /nfs/dbraw/zinc/51/35/80/393513580.db2.gz RJNRMTNFTYAXLT-UHFFFAOYSA-N 0 3 299.155 2.793 10 30 CFEEHN CCOCCN1CCN(CC(C)(C)CCC#N)C[C@H]1CC ZINC000121021454 393945773 /nfs/dbraw/zinc/94/57/73/393945773.db2.gz IRQPJPHJFNPWKV-MRXNPFEDSA-N 0 3 295.471 2.749 10 30 CFEEHN CCc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122329125 393967634 /nfs/dbraw/zinc/96/76/34/393967634.db2.gz GZHIQRLDSATAQR-KBPBESRZSA-N 0 3 287.407 2.660 10 30 CFEEHN COCC#CCN[C@H](C)c1cccc(Br)c1 ZINC000381740611 543090863 /nfs/dbraw/zinc/09/08/63/543090863.db2.gz OWOUDORLDCQLRH-LLVKDONJSA-N 0 3 282.181 2.750 10 30 CFEEHN CN(Cc1ccc(C#N)cc1)Cc1ccccc1N ZINC000035360824 172152294 /nfs/dbraw/zinc/15/22/94/172152294.db2.gz GPAVALXHVUNNSD-UHFFFAOYSA-N 0 3 251.333 2.772 10 30 CFEEHN CCCNCc1cccc(OCC)c1O[C@H](C)C#N ZINC000043513522 175061446 /nfs/dbraw/zinc/06/14/46/175061446.db2.gz UMFMXEQRBOUOGI-GFCCVEGCSA-N 0 3 262.353 2.876 10 30 CFEEHN CCNCc1cc(Br)ccc1O[C@H](C)C#N ZINC000043513428 175061482 /nfs/dbraw/zinc/06/14/82/175061482.db2.gz AOIGWIGMRVPNFQ-SECBINFHSA-N 0 3 283.169 2.849 10 30 CFEEHN C[C@H](N(C)C(=O)c1ccc(C#CCN)c(F)c1)C(C)(C)C ZINC000043583165 175070593 /nfs/dbraw/zinc/07/05/93/175070593.db2.gz LRDZETOCTFITMO-LBPRGKRZSA-N 0 3 290.382 2.643 10 30 CFEEHN CN(C)c1cccc(OCc2ccc(C#CCN)s2)c1 ZINC000043685403 175094033 /nfs/dbraw/zinc/09/40/33/175094033.db2.gz QKFNTUUXWAFRNJ-UHFFFAOYSA-N 0 3 286.400 2.703 10 30 CFEEHN COc1ccc(OCc2ccc(C#CCN)s2)cc1 ZINC000043684880 175094096 /nfs/dbraw/zinc/09/40/96/175094096.db2.gz CEZCWESIHQNICO-UHFFFAOYSA-N 0 3 273.357 2.646 10 30 CFEEHN CN(Cc1cc(C#CCN)cs1)Cc1cccc(F)c1 ZINC000043688862 175095931 /nfs/dbraw/zinc/09/59/31/175095931.db2.gz PZMUZKAASFKIST-UHFFFAOYSA-N 0 3 288.391 2.829 10 30 CFEEHN CN1CCCC[C@@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000044563229 175206379 /nfs/dbraw/zinc/20/63/79/175206379.db2.gz RQQVRVPBZIOQBN-OAHLLOKOSA-N 0 3 284.407 2.728 10 30 CFEEHN CCCCCN(C)Cc1ccc(F)cc1/C(N)=N/O ZINC000071266801 176100623 /nfs/dbraw/zinc/10/06/23/176100623.db2.gz VNPYABICPOZFKS-UHFFFAOYSA-N 0 3 267.348 2.542 10 30 CFEEHN Cc1cccc2c1C(=O)N(Cc1cccnc1)C2C#N ZINC000071678167 176242878 /nfs/dbraw/zinc/24/28/78/176242878.db2.gz BWQZAYQOZVORBL-AWEZNQCLSA-N 0 3 263.300 2.611 10 30 CFEEHN Cc1nn(C)c(C)c1CN1C(=O)c2c(cccc2C)C1C#N ZINC000071678208 176242881 /nfs/dbraw/zinc/24/28/81/176242881.db2.gz PGFPSHCYMXGSJC-OAHLLOKOSA-N 0 3 294.358 2.566 10 30 CFEEHN CN(C)c1cccc2c1C(=O)N(c1cccc(O)c1)C2C#N ZINC000071679311 176244489 /nfs/dbraw/zinc/24/44/89/176244489.db2.gz GCEUKUNIWVUBJX-HNNXBMFYSA-N 0 3 293.326 2.683 10 30 CFEEHN COc1ccc2c(c1)nc(N)n2Cc1ccc(C#N)cc1 ZINC000075948322 176840775 /nfs/dbraw/zinc/84/07/75/176840775.db2.gz GIUDIZQHMJBILQ-UHFFFAOYSA-N 0 3 278.315 2.547 10 30 CFEEHN C=CCC[C@@H](N[C@@H]1CCCn2nc(C)nc21)C1CC1 ZINC000090224815 275743384 /nfs/dbraw/zinc/74/33/84/275743384.db2.gz WAFGQGHDXNEQAN-ZIAGYGMSSA-N 0 3 260.385 2.756 10 30 CFEEHN C#CCOc1ccc(Cl)cc1CNC[C@@H]1CCCO1 ZINC000045945696 330350140 /nfs/dbraw/zinc/35/01/40/330350140.db2.gz IQYRWBKILCSSKK-AWEZNQCLSA-N 0 3 279.767 2.621 10 30 CFEEHN C[C@H](C#N)CN[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000251074377 334355779 /nfs/dbraw/zinc/35/57/79/334355779.db2.gz GCZPHLIPVZLCOU-RDBSUJKOSA-N 0 3 295.427 2.771 10 30 CFEEHN CC[C@@H](C)C(=O)Nc1cc(C#CCN)ccc1Cl ZINC000061692013 521920194 /nfs/dbraw/zinc/92/01/94/521920194.db2.gz ONTDDNVSCKTTBI-SNVBAGLBSA-N 0 3 264.756 2.635 10 30 CFEEHN C=C(C)COc1c(C)cc(CNCCOC)cc1C ZINC000062728669 518609409 /nfs/dbraw/zinc/60/94/09/518609409.db2.gz DATUYWFVAYZLSB-UHFFFAOYSA-N 0 3 263.381 2.994 10 30 CFEEHN CC(C)CCC[C@@H](C)NC(=O)c1cccc(C#CCN)c1 ZINC000049148581 519645211 /nfs/dbraw/zinc/64/52/11/519645211.db2.gz KCOOQEBAVNTEOX-OAHLLOKOSA-N 0 3 286.419 2.941 10 30 CFEEHN CC(C)CCC[C@H](C)NC(=O)c1ccc(C#CCN)cc1 ZINC000049148578 519647962 /nfs/dbraw/zinc/64/79/62/519647962.db2.gz CYWQARYZYUNUGQ-HNNXBMFYSA-N 0 3 286.419 2.941 10 30 CFEEHN CC(C)C[C@@H](C)OCCOc1cccc(C#CCN)c1 ZINC000049610813 519774136 /nfs/dbraw/zinc/77/41/36/519774136.db2.gz QCSHCGIIBHJEGW-OAHLLOKOSA-N 0 3 275.392 2.827 10 30 CFEEHN CCCCSCCOc1cccc(C#CCN)c1 ZINC000049611526 520957267 /nfs/dbraw/zinc/95/72/67/520957267.db2.gz FGPMUYOCPHTSDW-UHFFFAOYSA-N 0 3 263.406 2.909 10 30 CFEEHN CC1CCN(Cc2ccc(C#CCCO)cc2F)CC1 ZINC000049615529 521022591 /nfs/dbraw/zinc/02/25/91/521022591.db2.gz MAWGMWIBBAKKDT-UHFFFAOYSA-N 0 3 275.367 2.792 10 30 CFEEHN CCC(C)(C)OCCOc1ccc(C#CCN)cc1 ZINC000049610948 521358499 /nfs/dbraw/zinc/35/84/99/521358499.db2.gz UTADIKROZMXVNC-UHFFFAOYSA-N 0 3 261.365 2.581 10 30 CFEEHN CC[C@@H](NC(=O)c1ccc(C#CCN)s1)c1ccccc1 ZINC000051629976 522780700 /nfs/dbraw/zinc/78/07/00/522780700.db2.gz XIWFKTHORYDBNV-OAHLLOKOSA-N 0 3 298.411 2.939 10 30 CFEEHN CN(Cc1ccc(F)c(C#CCN)c1)c1ccc(F)cc1 ZINC000049965523 523239404 /nfs/dbraw/zinc/23/94/04/523239404.db2.gz HOXADNANSVAALJ-UHFFFAOYSA-N 0 3 286.325 2.911 10 30 CFEEHN COc1ccc(C#CCCO)cc1CN1CCC(C)CC1 ZINC000049615525 523509989 /nfs/dbraw/zinc/50/99/89/523509989.db2.gz OWUXSAJILJCXCO-UHFFFAOYSA-N 0 3 287.403 2.661 10 30 CFEEHN COc1ccc(C#CCN)cc1COc1ccccc1C ZINC000049610506 523517251 /nfs/dbraw/zinc/51/72/51/523517251.db2.gz ZMZOAUFMLDQVRU-UHFFFAOYSA-N 0 3 281.355 2.893 10 30 CFEEHN CCc1c(C)nn(Cc2ccc(F)c(C#CCN)c2)c1C ZINC000049610261 523717098 /nfs/dbraw/zinc/71/70/98/523717098.db2.gz ZGSASEBBLOTFFI-UHFFFAOYSA-N 0 3 285.366 2.560 10 30 CFEEHN C[C@@H]1CCCCN1Cc1ccc(C#CCCO)cc1F ZINC000049615708 524114067 /nfs/dbraw/zinc/11/40/67/524114067.db2.gz FFHLYMVIGUGEAG-CQSZACIVSA-N 0 3 275.367 2.934 10 30 CFEEHN C[C@H]1CCC[C@H](C)N1Cc1ccc(F)c(C#CCO)c1 ZINC000049616927 524190778 /nfs/dbraw/zinc/19/07/78/524190778.db2.gz KJOSGJDKZUKWPY-KBPBESRZSA-N 0 3 275.367 2.932 10 30 CFEEHN C[C@H]1CCC[C@H](OCCOc2cccc(C#CCN)c2)C1 ZINC000049610995 524210239 /nfs/dbraw/zinc/21/02/39/524210239.db2.gz VHSYVQPLYRLZDG-RDJZCZTQSA-N 0 3 287.403 2.971 10 30 CFEEHN C[C@H](CN1CCCC1)N[C@H](CC#N)c1ccccc1 ZINC000055017980 524318321 /nfs/dbraw/zinc/31/83/21/524318321.db2.gz SHTGIPVEMRLSHK-GDBMZVCRSA-N 0 3 257.381 2.715 10 30 CFEEHN C[C@H](NC(=O)CC(C)(C)C)c1ccc(C#CCN)cc1 ZINC000049586779 524919305 /nfs/dbraw/zinc/91/93/05/524919305.db2.gz OGLXEOLUHGGPRS-ZDUSSCGKSA-N 0 3 272.392 2.610 10 30 CFEEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1F ZINC000083704495 525080416 /nfs/dbraw/zinc/08/04/16/525080416.db2.gz SODRMZKPCMAXTP-CZUORRHYSA-N 0 3 287.382 2.756 10 30 CFEEHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(F)cc2C#CCO)C1 ZINC000049616660 525210659 /nfs/dbraw/zinc/21/06/59/525210659.db2.gz GGMOBCRITVAJIP-ZIAGYGMSSA-N 0 3 275.367 2.647 10 30 CFEEHN C[C@@H]1C[C@H](C)CN(Cc2ccc(C#CCO)cc2F)C1 ZINC000049616647 525384953 /nfs/dbraw/zinc/38/49/53/525384953.db2.gz MTNISZMNIZRUEF-OKILXGFUSA-N 0 3 275.367 2.647 10 30 CFEEHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(F)cc1C#CCO ZINC000050566734 525642767 /nfs/dbraw/zinc/64/27/67/525642767.db2.gz GSBCAFSKLWTVEA-UONOGXRCSA-N 0 3 275.367 2.790 10 30 CFEEHN Cc1ccc([C@H](C)NC(=O)c2cccc(C#CCN)c2)s1 ZINC000049189293 525912726 /nfs/dbraw/zinc/91/27/26/525912726.db2.gz RLMWEWYHYRQDGK-ZDUSSCGKSA-N 0 3 298.411 2.858 10 30 CFEEHN Cc1ccc2c(c1)nc(N)n2Cc1ccc(C#N)cc1 ZINC000051354679 526220156 /nfs/dbraw/zinc/22/01/56/526220156.db2.gz PQDIWLYGCACDNU-UHFFFAOYSA-N 0 3 262.316 2.847 10 30 CFEEHN N#Cc1ccccc1OCCN1CCC(c2cc[nH]n2)CC1 ZINC000195507079 526747207 /nfs/dbraw/zinc/74/72/07/526747207.db2.gz TUFVXTLNTWSPLF-UHFFFAOYSA-N 0 3 296.374 2.540 10 30 CFEEHN N#Cc1ccnc(O[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000061702218 526762432 /nfs/dbraw/zinc/76/24/32/526762432.db2.gz DEEZXKIHJDYECL-INIZCTEOSA-N 0 3 279.343 2.607 10 30 CFEEHN N#Cc1ccnc(O[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000061702219 526762775 /nfs/dbraw/zinc/76/27/75/526762775.db2.gz DEEZXKIHJDYECL-MRXNPFEDSA-N 0 3 279.343 2.607 10 30 CFEEHN NCC#Cc1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000049586270 527149921 /nfs/dbraw/zinc/14/99/21/527149921.db2.gz JETIBZPHFWWQIY-UHFFFAOYSA-N 0 3 298.773 2.580 10 30 CFEEHN NCC#Cc1ccccc1CN1CCCc2ccccc21 ZINC000049608698 527153707 /nfs/dbraw/zinc/15/37/07/527153707.db2.gz FOSCHZZWHNWHHZ-UHFFFAOYSA-N 0 3 276.383 2.950 10 30 CFEEHN NCC#Cc1ccccc1CN1Cc2ccccc2C1 ZINC000050911913 527153980 /nfs/dbraw/zinc/15/39/80/527153980.db2.gz CAJUDERIEDHLHI-UHFFFAOYSA-N 0 3 262.356 2.513 10 30 CFEEHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000119191187 637523203 /nfs/dbraw/zinc/52/32/03/637523203.db2.gz KNEOOLABZPIVQQ-GJZGRUSLSA-N 0 3 286.419 2.674 10 30 CFEEHN C=C(Br)CN1C[C@H]2CCCCN2C[C@H]1CC ZINC000129817456 645409864 /nfs/dbraw/zinc/40/98/64/645409864.db2.gz FXHKPWIJJJMFLM-CHWSQXEVSA-N 0 3 287.245 2.844 10 30 CFEEHN C=C(Br)CN1C[C@@H]2CCCCN2C[C@H]1CC ZINC000253182442 651039070 /nfs/dbraw/zinc/03/90/70/651039070.db2.gz FXHKPWIJJJMFLM-OLZOCXBDSA-N 0 3 287.245 2.844 10 30 CFEEHN N#Cc1cc(Cl)nc(N2CCN(C3CCCC3)CC2)c1 ZINC000122764699 721851837 /nfs/dbraw/zinc/85/18/37/721851837.db2.gz IXYOVCHXAFOLKE-UHFFFAOYSA-N 0 3 290.798 2.671 10 30 CFEEHN CC#CCNCc1ccc(Br)cc1C ZINC000127122388 347839722 /nfs/dbraw/zinc/83/97/22/347839722.db2.gz HAKPGENTXQCUJJ-UHFFFAOYSA-N 0 3 252.155 2.870 10 30 CFEEHN CCc1ccc([C@@H](C)NCC(=O)N(CC)CCC#N)cc1 ZINC000154933914 347983623 /nfs/dbraw/zinc/98/36/23/347983623.db2.gz YZUQMXYYTPPUER-CQSZACIVSA-N 0 3 287.407 2.662 10 30 CFEEHN CCCN1CCC[C@@](C#N)(NCc2cccs2)CC1 ZINC000086849229 179358255 /nfs/dbraw/zinc/35/82/55/179358255.db2.gz SAEHPZQZOUSPNY-OAHLLOKOSA-N 0 3 277.437 2.996 10 30 CFEEHN CCN1CCC[C@](C#N)(Nc2cccc(OC)c2)CC1 ZINC000086849131 179358372 /nfs/dbraw/zinc/35/83/72/179358372.db2.gz QOUJOFYTVYEZGY-INIZCTEOSA-N 0 3 273.380 2.875 10 30 CFEEHN CNCC#Cc1c(Cl)cccc1Br ZINC000307553502 348400120 /nfs/dbraw/zinc/40/01/20/348400120.db2.gz RGORAGZCPCHQNG-UHFFFAOYSA-N 0 3 258.546 2.673 10 30 CFEEHN C[C@@H]1C[C@@H](C=O)C[C@H](C)N1CCOc1ccccc1 ZINC000584883067 348726468 /nfs/dbraw/zinc/72/64/68/348726468.db2.gz GEETVWRSCUSPFZ-QDMKHBRRSA-N 0 3 261.365 2.753 10 30 CFEEHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594428334 349418991 /nfs/dbraw/zinc/41/89/91/349418991.db2.gz YECPYVPNKXSZDZ-RISCZKNCSA-N 0 3 293.798 2.928 10 30 CFEEHN CC[C@@H]1CN2CCC[C@@H]2CN1c1snc(Cl)c1C#N ZINC000271322591 191073016 /nfs/dbraw/zinc/07/30/16/191073016.db2.gz KNPSKYQGIYVELA-NXEZZACHSA-N 0 3 296.827 2.731 10 30 CFEEHN N#Cc1cccc([C@H]2CNCCN2Cc2ccccc2)c1 ZINC000616637838 352395649 /nfs/dbraw/zinc/39/56/49/352395649.db2.gz ZIUNVTQFSDWZIX-GOSISDBHSA-N 0 3 277.371 2.705 10 30 CFEEHN CN(C)C[C@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 ZINC000176890608 189013102 /nfs/dbraw/zinc/01/31/02/189013102.db2.gz GYUZLZVCRUHTJF-AWEZNQCLSA-N 0 3 299.399 2.652 10 30 CFEEHN Cc1nccn1C[C@H]1CCCN1Cc1ccccc1C#N ZINC000178283881 189103297 /nfs/dbraw/zinc/10/32/97/189103297.db2.gz MUKRTZSJPUSIMA-QGZVFWFLSA-N 0 3 280.375 2.728 10 30 CFEEHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(CC)cc1 ZINC000037978084 372745416 /nfs/dbraw/zinc/74/54/16/372745416.db2.gz GDXXGUUOHNSLPH-OLZOCXBDSA-N 0 3 260.381 2.590 10 30 CFEEHN C#CCOc1c(CNCCCC)cccc1OCC ZINC000045945592 373039457 /nfs/dbraw/zinc/03/94/57/373039457.db2.gz ZNENDGDSBGCMOE-UHFFFAOYSA-N 0 3 261.365 2.987 10 30 CFEEHN C=CCN(CCc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000068522527 374032112 /nfs/dbraw/zinc/03/21/12/374032112.db2.gz MHXUCKZPKJBTNT-QGZVFWFLSA-N 0 3 291.435 2.893 10 30 CFEEHN N#Cc1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)s1 ZINC000129363285 377418013 /nfs/dbraw/zinc/41/80/13/377418013.db2.gz QRPYJKSECWBZKG-IUODEOHRSA-N 0 3 276.405 2.747 10 30 CFEEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@H]1CCC[C@@H]1C#N ZINC000350458538 382012589 /nfs/dbraw/zinc/01/25/89/382012589.db2.gz JZNDBQIAOGUQDD-BGTYHANMSA-N 0 3 283.419 2.789 10 30 CFEEHN N#Cc1cc(Cl)ccc1CN1CCN2CCCC[C@@H]2C1 ZINC000187264092 382142588 /nfs/dbraw/zinc/14/25/88/382142588.db2.gz XRMAYMDFUSDAKY-MRXNPFEDSA-N 0 3 289.810 2.882 10 30 CFEEHN Cc1nc([C@H](C)NCCCSCC#N)cs1 ZINC000309412171 382488690 /nfs/dbraw/zinc/48/86/90/382488690.db2.gz ISNFKKVLBKZRMX-VIFPVBQESA-N 0 3 255.412 2.749 10 30 CFEEHN C=CCC[C@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000189111479 382546553 /nfs/dbraw/zinc/54/65/53/382546553.db2.gz PURJBRWZYWVKMF-SJORKVTESA-N 0 3 286.419 2.899 10 30 CFEEHN C=CCC[C@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000189111497 382546660 /nfs/dbraw/zinc/54/66/60/382546660.db2.gz PURJBRWZYWVKMF-IRXDYDNUSA-N 0 3 286.419 2.899 10 30 CFEEHN CCCCCCCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000195328277 382766594 /nfs/dbraw/zinc/76/65/94/382766594.db2.gz NRCHLZKLNFLRCE-CQSZACIVSA-N 0 3 252.402 2.654 10 30 CFEEHN N#CC(c1cccs1)S(=O)(=O)c1ccccc1 ZINC000238855705 382980519 /nfs/dbraw/zinc/98/05/19/382980519.db2.gz SSODAJBDIKVJRZ-LBPRGKRZSA-N 0 3 263.343 2.787 10 30 CFEEHN C=CCCCCCN1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000248732917 383285426 /nfs/dbraw/zinc/28/54/26/383285426.db2.gz MGXBJYLUYRKRAT-JKSUJKDBSA-N 0 3 268.445 2.510 10 30 CFEEHN Cc1nc(N2C[C@@H]3CCCN3C[C@H]2C)c(Cl)cc1C#N ZINC000292811847 394277328 /nfs/dbraw/zinc/27/73/28/394277328.db2.gz ZDWJDCNYSUHRDV-MFKMUULPSA-N 0 3 290.798 2.588 10 30 CFEEHN Cc1ccc([C@H](C)NC[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000038097548 174111254 /nfs/dbraw/zinc/11/12/54/174111254.db2.gz SODNCYPZDUXABT-SWLSCSKDSA-N 0 3 270.332 2.844 10 30 CFEEHN CC(C)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000040414389 174255669 /nfs/dbraw/zinc/25/56/69/174255669.db2.gz FMSUAGNMPBVIDN-UHFFFAOYSA-N 0 3 291.420 2.825 10 30 CFEEHN N#Cc1c(NC(=O)CNC2CC2)sc2c1CCCCC2 ZINC000040415425 174255730 /nfs/dbraw/zinc/25/57/30/174255730.db2.gz ZTVKALCQSYQGSR-UHFFFAOYSA-N 0 3 289.404 2.579 10 30 CFEEHN COc1ccccc1COc1cccc(C#CCN)c1 ZINC000043457892 175050609 /nfs/dbraw/zinc/05/06/09/175050609.db2.gz DOKBIAMBHMDXMX-UHFFFAOYSA-N 0 3 267.328 2.584 10 30 CFEEHN CN[C@H]1CC(C)(C)Oc2cc(O[C@H](C)C#N)ccc21 ZINC000043513897 175061460 /nfs/dbraw/zinc/06/14/60/175061460.db2.gz OMXYZRHVYCNHGO-MFKMUULPSA-N 0 3 260.337 2.799 10 30 CFEEHN COc1cc(CNC2CC2)cc(Cl)c1O[C@@H](C)C#N ZINC000043513391 175061668 /nfs/dbraw/zinc/06/16/68/175061668.db2.gz DUPBDMPSQFJGOI-VIFPVBQESA-N 0 3 280.755 2.891 10 30 CFEEHN CC[C@H](C#N)Oc1cc(OC)ccc1CNC1CC1 ZINC000043539003 175063864 /nfs/dbraw/zinc/06/38/64/175063864.db2.gz YVROMTNDFKWXAG-CYBMUJFWSA-N 0 3 260.337 2.628 10 30 CFEEHN CC(C)CN(C(=O)c1ccc(C#CCN)c(F)c1)C(C)C ZINC000043583162 175070617 /nfs/dbraw/zinc/07/06/17/175070617.db2.gz DEIQLRHJIRAGBR-UHFFFAOYSA-N 0 3 290.382 2.643 10 30 CFEEHN C[C@H]1CCCCN1Cc1ccc(C#CCCO)s1 ZINC000043678833 175089414 /nfs/dbraw/zinc/08/94/14/175089414.db2.gz YIGSPPKMKOCZHK-ZDUSSCGKSA-N 0 3 263.406 2.856 10 30 CFEEHN CCC1CCN(Cc2sccc2C#CCO)CC1 ZINC000043678594 175089976 /nfs/dbraw/zinc/08/99/76/175089976.db2.gz WGOBNWOZZCZRKP-UHFFFAOYSA-N 0 3 263.406 2.714 10 30 CFEEHN CN(Cc1cccs1)Cc1sccc1C#CCN ZINC000043683676 175091802 /nfs/dbraw/zinc/09/18/02/175091802.db2.gz VNVAEZHWTMNSDN-UHFFFAOYSA-N 0 3 276.430 2.752 10 30 CFEEHN COc1cc(C#N)ccc1OCc1sccc1C#CCN ZINC000043684682 175093081 /nfs/dbraw/zinc/09/30/81/175093081.db2.gz ILERKAKLUJDHJJ-UHFFFAOYSA-N 0 3 298.367 2.518 10 30 CFEEHN CN(Cc1cccs1)Cc1cc(C#CCN)cs1 ZINC000043688907 175095555 /nfs/dbraw/zinc/09/55/55/175095555.db2.gz FVBHMSSJHVTSMZ-UHFFFAOYSA-N 0 3 276.430 2.752 10 30 CFEEHN CC[C@H](C)N(CCOC)Cc1cc(C#CCCO)cs1 ZINC000043698727 175096591 /nfs/dbraw/zinc/09/65/91/175096591.db2.gz ZKAUMMAYVBRXEW-AWEZNQCLSA-N 0 3 295.448 2.729 10 30 CFEEHN C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)CC(C)(C)C ZINC000045073494 175302473 /nfs/dbraw/zinc/30/24/73/175302473.db2.gz RSOKLAIEAUPYEB-GFCCVEGCSA-N 0 3 273.380 2.863 10 30 CFEEHN CCCCCN1C(=O)c2c(cccc2N(C)C)C1C#N ZINC000071679268 176244088 /nfs/dbraw/zinc/24/40/88/176244088.db2.gz IPSFNSFAISQMBE-CQSZACIVSA-N 0 3 271.364 2.963 10 30 CFEEHN C=CC[C@H](C)[C@@H](C)[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263504317 330058238 /nfs/dbraw/zinc/05/82/38/330058238.db2.gz LOJYUMGRVQWKEA-LOCSVTFISA-N 0 3 294.439 2.504 10 30 CFEEHN C=CC[C@H](C)[C@@H](C)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263504317 330058240 /nfs/dbraw/zinc/05/82/40/330058240.db2.gz LOJYUMGRVQWKEA-LOCSVTFISA-N 0 3 294.439 2.504 10 30 CFEEHN C=CC[C@H](C)[C@@H](C)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263504317 330058242 /nfs/dbraw/zinc/05/82/42/330058242.db2.gz LOJYUMGRVQWKEA-LOCSVTFISA-N 0 3 294.439 2.504 10 30 CFEEHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)c(C)c1 ZINC000424104640 330233906 /nfs/dbraw/zinc/23/39/06/330233906.db2.gz UZAWQCOTKOZSQT-UKRRQHHQSA-N 0 3 273.380 2.502 10 30 CFEEHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cccs1 ZINC000182480435 518591303 /nfs/dbraw/zinc/59/13/03/518591303.db2.gz DXDDUCVSOKQOFA-GFCCVEGCSA-N 0 3 266.410 2.823 10 30 CFEEHN C=C(Cl)COc1cccc(CNCCOC)c1 ZINC000062731664 518650483 /nfs/dbraw/zinc/65/04/83/518650483.db2.gz FSLSSKRQZPDQKC-UHFFFAOYSA-N 0 3 255.745 2.554 10 30 CFEEHN CC(C)(C)NCc1nccn1Cc1cccc(C#N)c1 ZINC000051015406 518768865 /nfs/dbraw/zinc/76/88/65/518768865.db2.gz CFLOAUMZJCBTSL-UHFFFAOYSA-N 0 3 268.364 2.691 10 30 CFEEHN CC(C)CC[C@H](C)NC(=O)c1sccc1C#CCN ZINC000069235779 519691288 /nfs/dbraw/zinc/69/12/88/519691288.db2.gz SZHMIJOCRJYMRE-LBPRGKRZSA-N 0 3 278.421 2.613 10 30 CFEEHN CCC1CCC(NC(=O)c2ccc(C#CCN)s2)CC1 ZINC000049124821 519856233 /nfs/dbraw/zinc/85/62/33/519856233.db2.gz CHASOVOYZWLZQZ-UHFFFAOYSA-N 0 3 290.432 2.757 10 30 CFEEHN CCC1CCN(CCOc2ccc(C#CCO)cc2)CC1 ZINC000049614974 519859322 /nfs/dbraw/zinc/85/93/22/519859322.db2.gz SLHBEXFZZYCYEE-UHFFFAOYSA-N 0 3 287.403 2.531 10 30 CFEEHN CCC1CCN(Cc2ccc(F)c(C#CCO)c2)CC1 ZINC000049614993 519859624 /nfs/dbraw/zinc/85/96/24/519859624.db2.gz JPLAGTNBHGRZNH-UHFFFAOYSA-N 0 3 275.367 2.792 10 30 CFEEHN CCCC1CCN(CC[C@@](C)(C#N)NCC)CC1 ZINC000050905475 519901578 /nfs/dbraw/zinc/90/15/78/519901578.db2.gz BGEBTQJLSVKCKM-HNNXBMFYSA-N 0 3 251.418 2.780 10 30 CFEEHN CCCCC[C@@H](C)NC(=O)c1ccc(C#CCN)cc1 ZINC000049105933 520286962 /nfs/dbraw/zinc/28/69/62/520286962.db2.gz ZEDPINBIOIKRFS-CQSZACIVSA-N 0 3 272.392 2.695 10 30 CFEEHN CCCCC[C@H](C)NC(=O)c1ccc(C#CCN)cc1F ZINC000049105970 520306836 /nfs/dbraw/zinc/30/68/36/520306836.db2.gz ZTDYATHDZKBJKW-ZDUSSCGKSA-N 0 3 290.382 2.835 10 30 CFEEHN CCN(Cc1ccc(C#CCO)cc1F)C1CCCC1 ZINC000049618373 521300130 /nfs/dbraw/zinc/30/01/30/521300130.db2.gz CSQWNSVGQRIZGV-UHFFFAOYSA-N 0 3 275.367 2.934 10 30 CFEEHN CCC(CC)N(C)Cc1ccc(C#CCO)cc1F ZINC000049618659 521541943 /nfs/dbraw/zinc/54/19/43/521541943.db2.gz YFWGETREOUMCRH-UHFFFAOYSA-N 0 3 263.356 2.790 10 30 CFEEHN CN(CCOc1cccc(C#CCN)c1)c1ccccc1 ZINC000049608422 522911119 /nfs/dbraw/zinc/91/11/19/522911119.db2.gz ODWQPRZJWBRCSF-UHFFFAOYSA-N 0 3 280.371 2.512 10 30 CFEEHN CC[C@H]1CCCCN1Cc1cc(C#CCO)ccc1OC ZINC000049617489 523029305 /nfs/dbraw/zinc/02/93/05/523029305.db2.gz UVLVQIGZIKBHRY-KRWDZBQOSA-N 0 3 287.403 2.804 10 30 CFEEHN CN(Cc1ccc(C#CCO)cc1F)C1CCCCC1 ZINC000049616492 523206573 /nfs/dbraw/zinc/20/65/73/523206573.db2.gz OLRHPDFFWWWVDS-UHFFFAOYSA-N 0 3 275.367 2.934 10 30 CFEEHN CN(Cc1ccc(F)cc1)Cc1ccc(C#CCO)cc1 ZINC000049615084 523251001 /nfs/dbraw/zinc/25/10/01/523251001.db2.gz ZGDASHXVEDCAEI-UHFFFAOYSA-N 0 3 283.346 2.802 10 30 CFEEHN CN(Cc1ccsc1)Cc1ccc(C#CCN)cc1 ZINC000049609101 523484654 /nfs/dbraw/zinc/48/46/54/523484654.db2.gz QCNXJXSEVODXJB-UHFFFAOYSA-N 0 3 270.401 2.690 10 30 CFEEHN COc1ccc(C#CCN)cc1COCc1cccs1 ZINC000049611167 523514192 /nfs/dbraw/zinc/51/41/92/523514192.db2.gz RSJWCKRHTJQKAE-UHFFFAOYSA-N 0 3 287.384 2.784 10 30 CFEEHN COc1ccc(COCCCC(C)C)cc1C#CCN ZINC000049610942 524111907 /nfs/dbraw/zinc/11/19/07/524111907.db2.gz GQDRNOBIADEAAK-UHFFFAOYSA-N 0 3 275.392 2.958 10 30 CFEEHN C[C@@H]1CCCCN1Cc1ccc(F)cc1C#CCCO ZINC000049615756 524115142 /nfs/dbraw/zinc/11/51/42/524115142.db2.gz ALLUNHUYFQYIKF-CQSZACIVSA-N 0 3 275.367 2.934 10 30 CFEEHN C[C@H]1C[C@H](C)CN(Cc2ccc(C#CCO)cc2F)C1 ZINC000049616648 524884848 /nfs/dbraw/zinc/88/48/48/524884848.db2.gz MTNISZMNIZRUEF-KBPBESRZSA-N 0 3 275.367 2.647 10 30 CFEEHN Cc1ccsc1C(=O)N(C)Cc1cccc(C#CCN)c1 ZINC000049586953 525816766 /nfs/dbraw/zinc/81/67/66/525816766.db2.gz WGJBOENSLLKWJI-UHFFFAOYSA-N 0 3 298.411 2.639 10 30 CFEEHN Cc1ccc(C(=O)N[C@@H](C)c2cccc(C#CCN)c2)s1 ZINC000049587234 526194464 /nfs/dbraw/zinc/19/44/64/526194464.db2.gz RWLMOYHMRHPLLV-ZDUSSCGKSA-N 0 3 298.411 2.858 10 30 CFEEHN C[C@H]1CCCCN1Cc1ccc(F)c(C#CCO)c1 ZINC000049615750 526251350 /nfs/dbraw/zinc/25/13/50/526251350.db2.gz QXHMQLMDRINLAA-ZDUSSCGKSA-N 0 3 261.340 2.544 10 30 CFEEHN N#CC(C(=O)C1CCOCC1)c1ccccc1Cl ZINC000061672490 526490390 /nfs/dbraw/zinc/49/03/90/526490390.db2.gz CARKAPLLXCSCQT-GFCCVEGCSA-N 0 3 263.724 2.943 10 30 CFEEHN N#Cc1cccc(OCCN2CCC(c3cc[nH]n3)CC2)c1 ZINC000195507135 526727244 /nfs/dbraw/zinc/72/72/44/526727244.db2.gz DRQHOJZOHKMWSB-UHFFFAOYSA-N 0 3 296.374 2.540 10 30 CFEEHN N#Cc1ccccc1OCc1ccc(F)c(C#CCN)c1 ZINC000049610828 526747005 /nfs/dbraw/zinc/74/70/05/526747005.db2.gz ZFJLFDQEDDXCNS-UHFFFAOYSA-N 0 3 280.302 2.587 10 30 CFEEHN N#Cc1cccnc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702222 526754348 /nfs/dbraw/zinc/75/43/48/526754348.db2.gz QEEHOMDDDDKMNG-INIZCTEOSA-N 0 3 279.343 2.607 10 30 CFEEHN NCC#Cc1cc(COCc2ccccc2)ccc1F ZINC000049610350 527146604 /nfs/dbraw/zinc/14/66/04/527146604.db2.gz WGSIYUZQGGLTMY-UHFFFAOYSA-N 0 3 269.319 2.853 10 30 CFEEHN NCC#Cc1cc(COCc2cccs2)ccc1F ZINC000049611173 527146849 /nfs/dbraw/zinc/14/68/49/527146849.db2.gz BRYGLIUCAXEALC-UHFFFAOYSA-N 0 3 275.348 2.914 10 30 CFEEHN NCC#Cc1ccc(COCc2ccccc2)c(F)c1 ZINC000049610347 527149821 /nfs/dbraw/zinc/14/98/21/527149821.db2.gz NAEGNYXALBXOGB-UHFFFAOYSA-N 0 3 269.319 2.853 10 30 CFEEHN NCC#Cc1ccc(COCc2ccccc2F)s1 ZINC000069285272 527150059 /nfs/dbraw/zinc/15/00/59/527150059.db2.gz RAIZLDINHWLKIL-UHFFFAOYSA-N 0 3 275.348 2.914 10 30 CFEEHN NCC#Cc1ccc(COc2ccc(F)cc2F)cc1 ZINC000049610386 527150383 /nfs/dbraw/zinc/15/03/83/527150383.db2.gz WSZSQLSTUZJETJ-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN NCC#Cc1ccccc1COCc1ccccc1F ZINC000069285266 527154686 /nfs/dbraw/zinc/15/46/86/527154686.db2.gz YTYKYPULDHSUMC-UHFFFAOYSA-N 0 3 269.319 2.853 10 30 CFEEHN C#CCCCN(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757135567 617782223 /nfs/dbraw/zinc/78/22/23/617782223.db2.gz VIPKNUJAQLKUEJ-UHFFFAOYSA-N 0 3 289.379 2.695 10 30 CFEEHN C[C@H](C#N)Oc1ccc(CN2CCS[C@@H](C)C2)cc1 ZINC000245745732 623705554 /nfs/dbraw/zinc/70/55/54/623705554.db2.gz MQTIXYXAYMFXHR-OLZOCXBDSA-N 0 3 276.405 2.915 10 30 CFEEHN C[C@@H](C#N)OCCN[C@@H](C)c1ccc(Cl)s1 ZINC000304206222 651016262 /nfs/dbraw/zinc/01/62/62/651016262.db2.gz CXPQSCJNYKDSDT-IUCAKERBSA-N 0 3 258.774 2.981 10 30 CFEEHN CO[C@H](CN[C@H]1CCCC[C@@H]1C#N)C1CCCC1 ZINC000595687404 349700531 /nfs/dbraw/zinc/70/05/31/349700531.db2.gz CKPSYTQSYVTLGM-QLFBSQMISA-N 0 3 250.386 2.864 10 30 CFEEHN C=CCNC(=O)[C@@H](C)N[C@H](CCC)c1cccs1 ZINC000049545071 122271995 /nfs/dbraw/zinc/27/19/95/122271995.db2.gz YFAUBDJXKBVQQQ-VXGBXAGGSA-N 0 3 266.410 2.870 10 30 CFEEHN CCN(CC)CC#CCCC(=O)[C@](C)(O)c1ccccc1 ZINC000013825153 346232736 /nfs/dbraw/zinc/23/27/36/346232736.db2.gz CIZRRARIHKVPFV-GOSISDBHSA-N 0 3 287.403 2.589 10 30 CFEEHN COc1ccc(CCN[C@H]2CCCC[C@H]2C#N)cc1 ZINC000054823420 346577023 /nfs/dbraw/zinc/57/70/23/346577023.db2.gz BSELZMHFMWRLOE-HOCLYGCPSA-N 0 3 258.365 2.910 10 30 CFEEHN COc1ccc(CCN[C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000054823417 346577420 /nfs/dbraw/zinc/57/74/20/346577420.db2.gz BSELZMHFMWRLOE-GDBMZVCRSA-N 0 3 258.365 2.910 10 30 CFEEHN C=C[C@H](N)c1csc(I)c1 ZINC000130720498 347874108 /nfs/dbraw/zinc/87/41/08/347874108.db2.gz ZXHZXDLSTNDMBT-LURJTMIESA-N 0 3 265.119 2.539 10 30 CFEEHN CCCCCCCCN1CCC[C@@H](NC(C)=O)C1 ZINC000157593633 348001836 /nfs/dbraw/zinc/00/18/36/348001836.db2.gz MBMLHDCJQFLICC-OAHLLOKOSA-N 0 3 254.418 2.947 10 30 CFEEHN C#CC[C@H](N)c1c(F)cc(Br)cc1F ZINC000168683397 348049372 /nfs/dbraw/zinc/04/93/72/348049372.db2.gz UEUSGJUHXZRGRN-VIFPVBQESA-N 0 3 260.081 2.750 10 30 CFEEHN C#CC[C@@H](NC)c1ccc(F)c(Br)c1 ZINC000169238606 348050059 /nfs/dbraw/zinc/05/00/59/348050059.db2.gz FNXJTMABQYXGEF-LLVKDONJSA-N 0 3 256.118 2.872 10 30 CFEEHN C=C[C@H](N)c1ccc(F)cc1I ZINC000229296564 348200185 /nfs/dbraw/zinc/20/01/85/348200185.db2.gz ACOHGVUUUXWSGM-VIFPVBQESA-N 0 3 277.080 2.616 10 30 CFEEHN N#C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309847922 348408181 /nfs/dbraw/zinc/40/81/81/348408181.db2.gz YVDLBFSGDJCBBP-RCCFBDPRSA-N 0 3 283.419 2.933 10 30 CFEEHN Cc1ccc(S(=O)(=O)O[C@@H]2CCCC[C@@H]2N(C)C)cc1 ZINC000584601546 348685659 /nfs/dbraw/zinc/68/56/59/348685659.db2.gz XGIDNKYKUHPTQG-LSDHHAIUSA-N 0 3 297.420 2.573 10 30 CFEEHN CN(CC#CCCC=O)CCCCc1ccccc1 ZINC000584636396 348697950 /nfs/dbraw/zinc/69/79/50/348697950.db2.gz XQNRCBCISMBXQX-UHFFFAOYSA-N 0 3 257.377 2.924 10 30 CFEEHN CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594428293 349418433 /nfs/dbraw/zinc/41/84/33/349418433.db2.gz MHNZEOROUWCHRT-CABCVRRESA-N 0 3 273.380 2.665 10 30 CFEEHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1Cl ZINC000594427655 349418981 /nfs/dbraw/zinc/41/89/81/349418981.db2.gz VUORIHOBIQQCCP-SMDDNHRTSA-N 0 3 293.798 2.928 10 30 CFEEHN Cc1nccn1C[C@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000178307625 189105463 /nfs/dbraw/zinc/10/54/63/189105463.db2.gz KQJBSEBBRBKRME-MRXNPFEDSA-N 0 3 298.365 2.867 10 30 CFEEHN N#Cc1ccccc1CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188146478 189491974 /nfs/dbraw/zinc/49/19/74/189491974.db2.gz OSWYPEZUOXUKKU-IRXDYDNUSA-N 0 3 298.411 2.828 10 30 CFEEHN C=C(C(=O)CCNCc1ccccc1)C(F)(F)F ZINC000685960411 541474777 /nfs/dbraw/zinc/47/47/77/541474777.db2.gz JPOOBLISDYWIFC-UHFFFAOYSA-N 0 3 257.255 2.854 10 30 CFEEHN Cc1nc(-c2ccccc2)nc(SCCN(C)C)c1C#N ZINC000027789339 372348426 /nfs/dbraw/zinc/34/84/26/372348426.db2.gz VBRHOGYSAXCBSM-UHFFFAOYSA-N 0 3 298.415 2.977 10 30 CFEEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1cccc(C#N)c1 ZINC000083704427 374755554 /nfs/dbraw/zinc/75/55/54/374755554.db2.gz LZXODYGWYBGBDR-WMLDXEAASA-N 0 3 269.392 2.617 10 30 CFEEHN C=CCCC[C@H](C)NC(=O)N(C)C[C@@H]1CCCN1CC ZINC000181374336 380782617 /nfs/dbraw/zinc/78/26/17/380782617.db2.gz YPOBUDUCWLUXMV-GJZGRUSLSA-N 0 3 281.444 2.857 10 30 CFEEHN C=CCC[C@H](O)CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181552609 380824684 /nfs/dbraw/zinc/82/46/84/380824684.db2.gz CWZDIZZKARXJIW-LSDHHAIUSA-N 0 3 278.352 2.963 10 30 CFEEHN C=C(C)C[C@@H](C)C(=O)N(C)C[C@H]1CCCN1CC ZINC000248629897 383274798 /nfs/dbraw/zinc/27/47/98/383274798.db2.gz QGVVQDIDMFTRSC-ZIAGYGMSSA-N 0 3 252.402 2.531 10 30 CFEEHN C=C(C)C[C@@H](C)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000248629894 383274866 /nfs/dbraw/zinc/27/48/66/383274866.db2.gz QGVVQDIDMFTRSC-KGLIPLIRSA-N 0 3 252.402 2.531 10 30 CFEEHN CN(C)CCN[C@H](C#N)c1c(Cl)cccc1Cl ZINC000020177168 171042668 /nfs/dbraw/zinc/04/26/68/171042668.db2.gz ILTDIYFSEZZGID-LLVKDONJSA-N 0 3 272.179 2.709 10 30 CFEEHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCCCC1 ZINC000038029362 174019309 /nfs/dbraw/zinc/01/93/09/174019309.db2.gz YOVYBZDPFQRGRY-LBPRGKRZSA-N 0 3 288.351 2.753 10 30 CFEEHN Cc1ccc([C@H](C)NC[C@H](O)c2ccc(C#N)cc2)o1 ZINC000038097546 174110833 /nfs/dbraw/zinc/11/08/33/174110833.db2.gz SODNCYPZDUXABT-WFASDCNBSA-N 0 3 270.332 2.844 10 30 CFEEHN COc1cc(C#N)ccc1O[C@H](CN)c1ccc(C)o1 ZINC000043365720 175027109 /nfs/dbraw/zinc/02/71/09/175027109.db2.gz WUWWKGUNOQMDON-OAHLLOKOSA-N 0 3 272.304 2.547 10 30 CFEEHN CCOc1cccc(CNC2CC2)c1O[C@@H](C)C#N ZINC000043513527 175061489 /nfs/dbraw/zinc/06/14/89/175061489.db2.gz ADVQTOLZTHXMLR-NSHDSACASA-N 0 3 260.337 2.628 10 30 CFEEHN CCNCc1cccc(OCC)c1O[C@@H](C#N)CC ZINC000043538787 175063708 /nfs/dbraw/zinc/06/37/08/175063708.db2.gz RKXPOXBNHRLAGB-CYBMUJFWSA-N 0 3 262.353 2.876 10 30 CFEEHN Cc1ccccc1NC(=O)c1ccc(C#CCN)c(F)c1 ZINC000043589589 175073493 /nfs/dbraw/zinc/07/34/93/175073493.db2.gz ULFSMUSTAPSMBX-UHFFFAOYSA-N 0 3 282.318 2.697 10 30 CFEEHN CCc1ccc(C(=O)Nc2ccccc2C#CCN)s1 ZINC000043640331 175084723 /nfs/dbraw/zinc/08/47/23/175084723.db2.gz CKDHROUYFALMMQ-UHFFFAOYSA-N 0 3 284.384 2.873 10 30 CFEEHN Cc1cccc(OCc2sccc2C#CCN)c1 ZINC000043684815 175093519 /nfs/dbraw/zinc/09/35/19/175093519.db2.gz OKVAABKUOPJWNR-UHFFFAOYSA-N 0 3 257.358 2.946 10 30 CFEEHN CCCNCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000044288240 175159684 /nfs/dbraw/zinc/15/96/84/175159684.db2.gz HBURRMZJQBDQSX-SNVBAGLBSA-N 0 3 291.420 2.683 10 30 CFEEHN CCCNCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000044288244 175159740 /nfs/dbraw/zinc/15/97/40/175159740.db2.gz HBURRMZJQBDQSX-JTQLQIEISA-N 0 3 291.420 2.683 10 30 CFEEHN CN(Cc1cc(C#CCO)cs1)CC(C)(C)C ZINC000045086780 175304213 /nfs/dbraw/zinc/30/42/13/175304213.db2.gz GSEOMACQSGGZBZ-UHFFFAOYSA-N 0 3 251.395 2.570 10 30 CFEEHN Cc1ncsc1CN(C)C[C@H]1CCN(CCCC#N)C1 ZINC000195254437 262248828 /nfs/dbraw/zinc/24/88/28/262248828.db2.gz AUYNKQCJFXRXCA-CQSZACIVSA-N 0 3 292.452 2.509 10 30 CFEEHN Cc1nn(C)c(C)c1[C@H]1CCCN1CCCSCC#N ZINC000173887912 329153307 /nfs/dbraw/zinc/15/33/07/329153307.db2.gz LAZNJBGDYXHOOL-CQSZACIVSA-N 0 3 292.452 2.821 10 30 CFEEHN CCn1cnnc1[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000174839540 329163985 /nfs/dbraw/zinc/16/39/85/329163985.db2.gz WVIKHVQGPFAUAX-CQSZACIVSA-N 0 3 289.427 2.807 10 30 CFEEHN C#CCOc1ccc(Cl)cc1CNC[C@H]1CCCO1 ZINC000045945698 330350001 /nfs/dbraw/zinc/35/00/01/330350001.db2.gz IQYRWBKILCSSKK-CQSZACIVSA-N 0 3 279.767 2.621 10 30 CFEEHN C#CCOc1ccc(CNCc2ccccc2)cc1OC ZINC000045944704 330350035 /nfs/dbraw/zinc/35/00/35/330350035.db2.gz PUDBWPYVTXQTBM-UHFFFAOYSA-N 0 3 281.355 2.997 10 30 CFEEHN C#CCOc1cccc(CNCc2ccccc2)c1 ZINC000045945503 330350053 /nfs/dbraw/zinc/35/00/53/330350053.db2.gz GSHHYNYYDQIYDK-UHFFFAOYSA-N 0 3 251.329 2.988 10 30 CFEEHN C#C[C@@H](CC)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000229878280 333310588 /nfs/dbraw/zinc/31/05/88/333310588.db2.gz XEIOBAUIGUFMLE-YPMHNXCESA-N 0 3 277.364 2.775 10 30 CFEEHN COc1ccc(C[C@H](C)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000250998184 334354462 /nfs/dbraw/zinc/35/44/62/334354462.db2.gz OQLSFHUPCAVHLH-DUVNUKRYSA-N 0 3 258.365 2.908 10 30 CFEEHN CCCCCN(C)Cc1ccc(F)c(C#CCO)c1 ZINC000049617977 520150917 /nfs/dbraw/zinc/15/09/17/520150917.db2.gz MWYRRLHEGSECES-UHFFFAOYSA-N 0 3 263.356 2.792 10 30 CFEEHN CCC[C@@H](C)C(=O)N[C@H](C)c1ccc(C#CCN)cc1 ZINC000049586695 520616048 /nfs/dbraw/zinc/61/60/48/520616048.db2.gz VBFKAVSZDUUEIV-ZIAGYGMSSA-N 0 3 272.392 2.610 10 30 CFEEHN CCC[C@H](C)C(=O)N[C@H](C)c1ccc(C#CCN)cc1 ZINC000049586700 521005157 /nfs/dbraw/zinc/00/51/57/521005157.db2.gz VBFKAVSZDUUEIV-UONOGXRCSA-N 0 3 272.392 2.610 10 30 CFEEHN C=CCSc1ccccc1NC(=O)[C@H](C)NC ZINC000052395672 519079494 /nfs/dbraw/zinc/07/94/94/519079494.db2.gz WGZHZIUDFNBKDS-JTQLQIEISA-N 0 3 250.367 2.511 10 30 CFEEHN C=C[C@@H](C)Oc1c(Br)cccc1CN ZINC000052141798 519293863 /nfs/dbraw/zinc/29/38/63/519293863.db2.gz SIUDSZKBHGZVBI-MRVPVSSYSA-N 0 3 256.143 2.861 10 30 CFEEHN CC(C)CCC(=O)N[C@H](C)c1cccc(C#CCN)c1 ZINC000049587097 519636640 /nfs/dbraw/zinc/63/66/40/519636640.db2.gz MJJXHSPPLULXEF-CQSZACIVSA-N 0 3 272.392 2.610 10 30 CFEEHN CCCC1CCN(C(=O)c2ccccc2C#CCN)CC1 ZINC000050907100 519900451 /nfs/dbraw/zinc/90/04/51/519900451.db2.gz HWFRMUDTHURRPS-UHFFFAOYSA-N 0 3 284.403 2.649 10 30 CFEEHN CCCCN(C)Cc1cc(C#CCCO)ccc1OC ZINC000049616377 520421632 /nfs/dbraw/zinc/42/16/32/520421632.db2.gz JGHNFRSLQUFQAP-UHFFFAOYSA-N 0 3 275.392 2.661 10 30 CFEEHN CCN(Cc1ccc(C#CCCO)cc1F)C(C)C ZINC000049617432 521296639 /nfs/dbraw/zinc/29/66/39/521296639.db2.gz ULWAQTPATLJBMR-UHFFFAOYSA-N 0 3 263.356 2.790 10 30 CFEEHN CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#CCN)s1 ZINC000049124785 523041901 /nfs/dbraw/zinc/04/19/01/523041901.db2.gz NUNVPXHSMMLIFF-JSGCOSHPSA-N 0 3 290.432 2.757 10 30 CFEEHN CC[C@@H]1CCCCN1Cc1cc(C#CCO)ccc1OC ZINC000049617487 523179214 /nfs/dbraw/zinc/17/92/14/523179214.db2.gz UVLVQIGZIKBHRY-QGZVFWFLSA-N 0 3 287.403 2.804 10 30 CFEEHN CC[C@@H]1CCCN1Cc1ccc(F)cc1C#CCO ZINC000049615159 523269516 /nfs/dbraw/zinc/26/95/16/523269516.db2.gz BADFTIHGDRSEJE-MRXNPFEDSA-N 0 3 261.340 2.544 10 30 CFEEHN COc1ccc(C#CCCO)cc1CN(C)[C@H](C)C(C)C ZINC000049618553 523511424 /nfs/dbraw/zinc/51/14/24/523511424.db2.gz RDKMJUUELNAJEU-OAHLLOKOSA-N 0 3 289.419 2.905 10 30 CFEEHN COc1ccc(C#CCN)cc1CN(C)c1ccccc1 ZINC000049608420 523512926 /nfs/dbraw/zinc/51/29/26/523512926.db2.gz MXUGSBBDHFASTI-UHFFFAOYSA-N 0 3 280.371 2.642 10 30 CFEEHN COc1ccc(C#CCN)cc1NC(=O)CC1CCCC1 ZINC000049587363 523516196 /nfs/dbraw/zinc/51/61/96/523516196.db2.gz RGDLYKQMRSQLKP-UHFFFAOYSA-N 0 3 286.375 2.524 10 30 CFEEHN COc1ccc(C#CCN)cc1COc1ccc(C)cc1 ZINC000049610639 523516634 /nfs/dbraw/zinc/51/66/34/523516634.db2.gz SHWRCBJPJOKBJP-UHFFFAOYSA-N 0 3 281.355 2.893 10 30 CFEEHN COc1ccc(C#CCN)cc1NC(=O)C1CCCCC1 ZINC000049587358 523517673 /nfs/dbraw/zinc/51/76/73/523517673.db2.gz WHKYQEJAGMTWSM-UHFFFAOYSA-N 0 3 286.375 2.524 10 30 CFEEHN COc1ccc(C)cc1COc1cccc(C#CCN)c1 ZINC000050707075 523813753 /nfs/dbraw/zinc/81/37/53/523813753.db2.gz VZGIYTWEECMRCK-UHFFFAOYSA-N 0 3 281.355 2.893 10 30 CFEEHN COc1ccc(C)cc1COc1ccccc1C#CCN ZINC000050707069 523813946 /nfs/dbraw/zinc/81/39/46/523813946.db2.gz SROZVLUPQSQQQB-UHFFFAOYSA-N 0 3 281.355 2.893 10 30 CFEEHN C[C@H]1CCC[C@](CO)(N[C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054829963 524224925 /nfs/dbraw/zinc/22/49/25/524224925.db2.gz OKQAHGGCWBJHEZ-YJNKXOJESA-N 0 3 250.386 2.600 10 30 CFEEHN Cc1ccc(N(C)Cc2ccc(C#CCN)cc2)cc1 ZINC000050006600 524888601 /nfs/dbraw/zinc/88/86/01/524888601.db2.gz BSUZKETYSMRABH-UHFFFAOYSA-N 0 3 264.372 2.942 10 30 CFEEHN C[C@H](NC(=O)c1ccc(C#CCN)cc1)C1CCCCC1 ZINC000052344705 525206235 /nfs/dbraw/zinc/20/62/35/525206235.db2.gz BIVCTCQBEXKEEY-AWEZNQCLSA-N 0 3 284.403 2.695 10 30 CFEEHN C[C@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCCO1 ZINC000162618077 525435161 /nfs/dbraw/zinc/43/51/61/525435161.db2.gz CBLXZJNDKUITAJ-IINYFYTJSA-N 0 3 264.756 2.869 10 30 CFEEHN N#CCOc1ccc(CNCCC(F)(F)F)cc1 ZINC000063099454 526475270 /nfs/dbraw/zinc/47/52/70/526475270.db2.gz KBOYOXVPKNMUSJ-UHFFFAOYSA-N 0 3 258.243 2.631 10 30 CFEEHN Cc1occc1CN(C)Cc1cccc(C#CCN)c1 ZINC000049609920 526824031 /nfs/dbraw/zinc/82/40/31/526824031.db2.gz GYVYZRPKLYPMDM-UHFFFAOYSA-N 0 3 268.360 2.530 10 30 CFEEHN NCC#Cc1cc(F)ccc1COCCc1cccs1 ZINC000049611182 527149261 /nfs/dbraw/zinc/14/92/61/527149261.db2.gz ZCLXJVLXIYVLAM-UHFFFAOYSA-N 0 3 289.375 2.957 10 30 CFEEHN NCC#Cc1ccc2cc(OC3CCOCC3)ccc2c1 ZINC000069310454 527152043 /nfs/dbraw/zinc/15/20/43/527152043.db2.gz ZRVNAWQSZDLOSF-UHFFFAOYSA-N 0 3 281.355 2.708 10 30 CFEEHN NCC#Cc1ccccc1CN1CCc2ccccc2C1 ZINC000049608574 527153457 /nfs/dbraw/zinc/15/34/57/527153457.db2.gz SDOHWRWDWYFKIQ-UHFFFAOYSA-N 0 3 276.383 2.555 10 30 CFEEHN NCC#Cc1cccc(COc2ccccc2F)c1 ZINC000049610452 527153499 /nfs/dbraw/zinc/15/34/99/527153499.db2.gz QKZUQFKENUKAGV-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN NCC#Cc1ccccc1COc1ccc(F)c(F)c1 ZINC000049611076 527154975 /nfs/dbraw/zinc/15/49/75/527154975.db2.gz VGKYHAFJZFQQGB-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192058491 527441953 /nfs/dbraw/zinc/44/19/53/527441953.db2.gz GCMYPYCCOXSBEM-INIZCTEOSA-N 0 3 298.365 2.867 10 30 CFEEHN C=CCOc1ccccc1CN[C@H]1CCC[C@@H](O)C1 ZINC000037321035 346328756 /nfs/dbraw/zinc/32/87/56/346328756.db2.gz YTUDDRAUYOYUEF-LSDHHAIUSA-N 0 3 261.365 2.645 10 30 CFEEHN CCc1ccc([C@H](C)NCC(=O)N(CC)CCC#N)cc1 ZINC000154934024 347983797 /nfs/dbraw/zinc/98/37/97/347983797.db2.gz YZUQMXYYTPPUER-AWEZNQCLSA-N 0 3 287.407 2.662 10 30 CFEEHN Cc1cc(C#N)ccc1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000165498263 348040292 /nfs/dbraw/zinc/04/02/92/348040292.db2.gz VOKDTMDKSZUDBW-MSOLQXFVSA-N 0 3 284.403 2.994 10 30 CFEEHN O[C@@]1(C#Cc2ccccc2)CCN(Cc2ccccc2)C1 ZINC000306174013 348384376 /nfs/dbraw/zinc/38/43/76/348384376.db2.gz MCDXDSMYUCMYPJ-IBGZPJMESA-N 0 3 277.367 2.675 10 30 CFEEHN Cc1ccc(S(=O)(=O)O[C@@H]2CCCC[C@H]2N(C)C)cc1 ZINC000584601545 348685515 /nfs/dbraw/zinc/68/55/15/348685515.db2.gz XGIDNKYKUHPTQG-HUUCEWRRSA-N 0 3 297.420 2.573 10 30 CFEEHN CCCCCCCN1CCN2C(=O)N(CC)CC[C@@H]2C1 ZINC000584640064 348699698 /nfs/dbraw/zinc/69/96/98/348699698.db2.gz IXXXCNRSGWGIGM-OAHLLOKOSA-N 0 3 281.444 2.789 10 30 CFEEHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594428330 349418893 /nfs/dbraw/zinc/41/88/93/349418893.db2.gz YECPYVPNKXSZDZ-BXUZGUMPSA-N 0 3 293.798 2.928 10 30 CFEEHN C#CC[C@H](N)C(=O)NCCCCCCCCCC ZINC000106253008 186105227 /nfs/dbraw/zinc/10/52/27/186105227.db2.gz WKZUVRKZILGVNL-AWEZNQCLSA-N 0 3 252.402 2.594 10 30 CFEEHN Cc1nccn1C[C@@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000154542342 188148529 /nfs/dbraw/zinc/14/85/29/188148529.db2.gz WMMGPNXQVNMUIM-SFHVURJKSA-N 0 3 297.377 2.847 10 30 CFEEHN C=CCC[C@@H](O)CN(CCCOC)Cc1ccc(F)cc1 ZINC000036031247 372554401 /nfs/dbraw/zinc/55/44/01/372554401.db2.gz FDOMAJRKRGNZCJ-QGZVFWFLSA-N 0 3 295.398 2.991 10 30 CFEEHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(CC)cc1 ZINC000037978085 372745662 /nfs/dbraw/zinc/74/56/62/372745662.db2.gz GDXXGUUOHNSLPH-STQMWFEESA-N 0 3 260.381 2.590 10 30 CFEEHN Cc1cccc(NC[C@H]2CCN(Cc3ccc(C#N)o3)C2)n1 ZINC000092813158 375161245 /nfs/dbraw/zinc/16/12/45/375161245.db2.gz IULCUDNZLXAFJO-CQSZACIVSA-N 0 3 296.374 2.789 10 30 CFEEHN N#CC(C(=O)c1ccc(F)cc1F)c1ccccn1 ZINC000095082358 375408314 /nfs/dbraw/zinc/40/83/14/375408314.db2.gz YQVNMKQWRDWBNV-NSHDSACASA-N 0 3 258.227 2.850 10 30 CFEEHN C[C@@H]1C[C@](O)(C#CSc2ccccc2)[C@@H](C)CN1C ZINC000256006436 190001478 /nfs/dbraw/zinc/00/14/78/190001478.db2.gz VGLYEXWKUDZFMV-SQWLQELKSA-N 0 3 275.417 2.831 10 30 CFEEHN C=CCCCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000175134884 380003521 /nfs/dbraw/zinc/00/35/21/380003521.db2.gz SIRMRUFUMLZPCU-OAHLLOKOSA-N 0 3 260.381 2.762 10 30 CFEEHN C=CCCCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000175134871 380003773 /nfs/dbraw/zinc/00/37/73/380003773.db2.gz SIRMRUFUMLZPCU-HNNXBMFYSA-N 0 3 260.381 2.762 10 30 CFEEHN CCc1ccc([C@H](C)NCCC(=O)N(C)CCC#N)cc1 ZINC000181475022 380801609 /nfs/dbraw/zinc/80/16/09/380801609.db2.gz OJTAZDREXZAEPN-AWEZNQCLSA-N 0 3 287.407 2.662 10 30 CFEEHN C=CCCCCCCNCc1c(C)nn(C)c1OC ZINC000290238532 381353851 /nfs/dbraw/zinc/35/38/51/381353851.db2.gz ZFFXGAPEBWHLEW-UHFFFAOYSA-N 0 3 265.401 2.963 10 30 CFEEHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000187696389 382249536 /nfs/dbraw/zinc/24/95/36/382249536.db2.gz OHZIZLXOUIEXKR-BBRMVZONSA-N 0 3 280.375 2.842 10 30 CFEEHN C#C[C@@H](N)c1ccc(I)c(Cl)c1 ZINC000232361436 382868670 /nfs/dbraw/zinc/86/86/70/382868670.db2.gz IXMACOOYDLNAAC-SECBINFHSA-N 0 3 291.519 2.578 10 30 CFEEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1cccc(C#N)c1 ZINC000252661556 383424369 /nfs/dbraw/zinc/42/43/69/383424369.db2.gz LZXODYGWYBGBDR-YOEHRIQHSA-N 0 3 269.392 2.617 10 30 CFEEHN C=CCC(C)(C)CNCc1csc(COC)n1 ZINC000645186287 385231833 /nfs/dbraw/zinc/23/18/33/385231833.db2.gz ZPHSWWQGHHRSDZ-UHFFFAOYSA-N 0 3 254.399 2.981 10 30 CFEEHN C/C(=N\[O-])c1ccc2c(c1)C[C@H]([NH+]1CCCCC1)C2 ZINC000223857724 393766622 /nfs/dbraw/zinc/76/66/22/393766622.db2.gz LZPLVICOBAUCSV-QRYYFKOISA-N 0 3 258.365 2.838 10 30 CFEEHN CCOCCN1CCN(CC(C)(C)CCC#N)C[C@@H]1CC ZINC000121021598 393946190 /nfs/dbraw/zinc/94/61/90/393946190.db2.gz IRQPJPHJFNPWKV-INIZCTEOSA-N 0 3 295.471 2.749 10 30 CFEEHN N#CCSCCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000174159671 394377780 /nfs/dbraw/zinc/37/77/80/394377780.db2.gz OTNMVOFVKSDQKL-CYBMUJFWSA-N 0 3 264.398 2.584 10 30 CFEEHN C=CCOc1ccccc1CNCC[C@@H]1CCCO1 ZINC000037988720 397550818 /nfs/dbraw/zinc/55/08/18/397550818.db2.gz YIXXRNFCULJLQZ-HNNXBMFYSA-N 0 3 261.365 2.910 10 30 CFEEHN N#Cc1cc(N[C@@H]2CN3CCC2CC3)ccc1Cl ZINC000036973495 172840681 /nfs/dbraw/zinc/84/06/81/172840681.db2.gz XWDABGUHKXMAKU-CQSZACIVSA-N 0 3 261.756 2.718 10 30 CFEEHN CCCCCN(C)Cc1ccc(/C(N)=N/O)cc1F ZINC000037171718 173005523 /nfs/dbraw/zinc/00/55/23/173005523.db2.gz CXESBMPRIFRBEU-UHFFFAOYSA-N 0 3 267.348 2.542 10 30 CFEEHN NCC#Cc1ccc(OCCc2ccccc2)cc1 ZINC000037547946 173264471 /nfs/dbraw/zinc/26/44/71/173264471.db2.gz VUDJDUHKJZWJIZ-UHFFFAOYSA-N 0 3 251.329 2.618 10 30 CFEEHN CCN(CC)CCN[C@@H](C#N)c1ccc(Cl)cc1 ZINC000037940982 173880131 /nfs/dbraw/zinc/88/01/31/173880131.db2.gz XRPPXDSMLXQKGT-AWEZNQCLSA-N 0 3 265.788 2.836 10 30 CFEEHN CC(C)NCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000040414383 174255559 /nfs/dbraw/zinc/25/55/59/174255559.db2.gz VICAPQPRLKGEKM-SNVBAGLBSA-N 0 3 291.420 2.681 10 30 CFEEHN COc1cc(C#N)ccc1O[C@@H](c1ccco1)[C@H](C)N ZINC000043336663 175012516 /nfs/dbraw/zinc/01/25/16/175012516.db2.gz NDSILCOOVDKSSR-ZUZCIYMTSA-N 0 3 272.304 2.627 10 30 CFEEHN COc1cc(C#N)ccc1O[C@@H](c1ccco1)[C@@H](C)N ZINC000043336664 175012582 /nfs/dbraw/zinc/01/25/82/175012582.db2.gz NDSILCOOVDKSSR-MEBBXXQBSA-N 0 3 272.304 2.627 10 30 CFEEHN CC(C)(C)CC(C)(C)NC(=O)c1ccc(C#CCN)cc1 ZINC000043438583 175045783 /nfs/dbraw/zinc/04/57/83/175045783.db2.gz JVJJWUTUGNAPLB-UHFFFAOYSA-N 0 3 286.419 2.941 10 30 CFEEHN C[C@H](C#N)Oc1ccc(CNC2CC2)cc1Cl ZINC000043513934 175061575 /nfs/dbraw/zinc/06/15/75/175061575.db2.gz RFAUBGFACKAIPZ-SECBINFHSA-N 0 3 250.729 2.883 10 30 CFEEHN CC(C)C[C@@H](C)N(C)C(=O)c1ccc(C#CCN)c(F)c1 ZINC000043583158 175070604 /nfs/dbraw/zinc/07/06/04/175070604.db2.gz JTCRUGGNXYKMDU-CYBMUJFWSA-N 0 3 290.382 2.643 10 30 CFEEHN CC(C)CCN(C)Cc1sccc1C#CCO ZINC000043678571 175088967 /nfs/dbraw/zinc/08/89/67/175088967.db2.gz FPGNWQZBWVJDSH-UHFFFAOYSA-N 0 3 251.395 2.570 10 30 CFEEHN NCC#Cc1ccsc1COc1ccccc1F ZINC000043684760 175093298 /nfs/dbraw/zinc/09/32/98/175093298.db2.gz JNLINKBWTFJOCN-UHFFFAOYSA-N 0 3 261.321 2.776 10 30 CFEEHN NCC#Cc1csc(COc2ccc(F)cc2F)c1 ZINC000043689232 175096228 /nfs/dbraw/zinc/09/62/28/175096228.db2.gz MNWOXKKBMAHIIT-UHFFFAOYSA-N 0 3 279.311 2.916 10 30 CFEEHN COc1ccc(C#CCCO)cc1CN(C)CC(C)(C)C ZINC000045086797 175304001 /nfs/dbraw/zinc/30/40/01/175304001.db2.gz LGYNIRYRCPPAIO-UHFFFAOYSA-N 0 3 289.419 2.907 10 30 CFEEHN CC#CCCNCc1cc2c(c(Br)c1)OCO2 ZINC000158307054 260886154 /nfs/dbraw/zinc/88/61/54/260886154.db2.gz LHVSBLDRHNRSEU-UHFFFAOYSA-N 0 3 296.164 2.681 10 30 CFEEHN C=CC[C@@H](C)[C@H](C)[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263504319 330058120 /nfs/dbraw/zinc/05/81/20/330058120.db2.gz LOJYUMGRVQWKEA-SQHUISNBSA-N 0 3 294.439 2.504 10 30 CFEEHN C=CC[C@@H](C)[C@H](C)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263504319 330058121 /nfs/dbraw/zinc/05/81/21/330058121.db2.gz LOJYUMGRVQWKEA-SQHUISNBSA-N 0 3 294.439 2.504 10 30 CFEEHN C=CC[C@@H](C)[C@H](C)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263504319 330058123 /nfs/dbraw/zinc/05/81/23/330058123.db2.gz LOJYUMGRVQWKEA-SQHUISNBSA-N 0 3 294.439 2.504 10 30 CFEEHN C[C@@](O)(CN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000227351584 333281311 /nfs/dbraw/zinc/28/13/11/333281311.db2.gz VPAJTRDYNZHBJW-MRXNPFEDSA-N 0 3 258.365 2.520 10 30 CFEEHN C=C[C@@H](CC(=O)N[C@@H]1CCCN(CC)C1)c1ccccc1 ZINC000245608192 334206898 /nfs/dbraw/zinc/20/68/98/334206898.db2.gz ATMFIKIUVSJASU-DOTOQJQBSA-N 0 3 286.419 2.947 10 30 CFEEHN C=CC[C@@H](C(=O)N[C@H]1CCCN(CC)C1)c1ccccc1 ZINC000249560156 334336694 /nfs/dbraw/zinc/33/66/94/334336694.db2.gz LJHJGJHJAWAATA-DLBZAZTESA-N 0 3 286.419 2.947 10 30 CFEEHN COc1ccc(C[C@H](C)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000250998187 334354406 /nfs/dbraw/zinc/35/44/06/334354406.db2.gz OQLSFHUPCAVHLH-NOLJZWGESA-N 0 3 258.365 2.908 10 30 CFEEHN N#C[C@@H]1CCC[C@H]1NCCCOCc1ccccc1 ZINC000342781566 335186842 /nfs/dbraw/zinc/18/68/42/335186842.db2.gz MKKHCPDOLMWOMR-JKSUJKDBSA-N 0 3 258.365 2.875 10 30 CFEEHN C#C[C@H](NC[C@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000382902883 336098726 /nfs/dbraw/zinc/09/87/26/336098726.db2.gz FUBTZJJVKIGIDC-KBPBESRZSA-N 0 3 285.309 2.986 10 30 CFEEHN CCCN(CCC)Cc1cc(C#CCO)ccc1OC ZINC000049616299 521649268 /nfs/dbraw/zinc/64/92/68/521649268.db2.gz ZWGFAABOFUQEGK-UHFFFAOYSA-N 0 3 275.392 2.661 10 30 CFEEHN CC(C)CC[C@H](C)NC(=O)c1ccc(C#CCN)cc1 ZINC000069235789 519690995 /nfs/dbraw/zinc/69/09/95/519690995.db2.gz SOCSEBDLAJQKMH-AWEZNQCLSA-N 0 3 272.392 2.551 10 30 CFEEHN CC(C)CSCCOc1ccc(C#CCN)cc1 ZINC000049611454 519769546 /nfs/dbraw/zinc/76/95/46/519769546.db2.gz IXUQZTLGVNRUHF-UHFFFAOYSA-N 0 3 263.406 2.765 10 30 CFEEHN CC(C)[C@@H](C)N(C)Cc1ccc(C#CCO)cc1F ZINC000049618590 519791138 /nfs/dbraw/zinc/79/11/38/519791138.db2.gz ZBRKDOBGXPSVIG-CYBMUJFWSA-N 0 3 263.356 2.646 10 30 CFEEHN CCC1CCN(Cc2ccc(F)cc2C#CCO)CC1 ZINC000049614990 519859489 /nfs/dbraw/zinc/85/94/89/519859489.db2.gz JNJAOTQHYYQNSN-UHFFFAOYSA-N 0 3 275.367 2.792 10 30 CFEEHN CCCCCC(=O)Nc1cc(C#CCN)ccc1OC ZINC000049587331 519936981 /nfs/dbraw/zinc/93/69/81/519936981.db2.gz HMSMIIPTNSJGMH-UHFFFAOYSA-N 0 3 274.364 2.524 10 30 CFEEHN CCCCC[C@H](C)NC(=O)c1ccc(F)cc1C#CCN ZINC000049105953 520307327 /nfs/dbraw/zinc/30/73/27/520307327.db2.gz IMTYETPTCCBQJU-ZDUSSCGKSA-N 0 3 290.382 2.835 10 30 CFEEHN CCCCN(Cc1cc(C#CCO)ccc1OC)C1CC1 ZINC000049613880 520542880 /nfs/dbraw/zinc/54/28/80/520542880.db2.gz HEUBSMKCBLVTRZ-UHFFFAOYSA-N 0 3 287.403 2.804 10 30 CFEEHN CC[C@H](C)SCCOc1ccc(C#CCN)cc1 ZINC000049611205 521782454 /nfs/dbraw/zinc/78/24/54/521782454.db2.gz IYJHQLPVIBAJMG-ZDUSSCGKSA-N 0 3 263.406 2.907 10 30 CFEEHN CC[C@@H](C)N1CCN([C@H]2CCCCC[C@@H]2C#N)CC1 ZINC000055066474 522130562 /nfs/dbraw/zinc/13/05/62/522130562.db2.gz YVKWSSDXMYMZJT-OAGGEKHMSA-N 0 3 263.429 2.875 10 30 CFEEHN CC[C@H](NC(=O)c1ccccc1C#CCN)c1cccs1 ZINC000049533323 522543872 /nfs/dbraw/zinc/54/38/72/522543872.db2.gz NZPNYPPYZDOEJQ-HNNXBMFYSA-N 0 3 298.411 2.939 10 30 CFEEHN CC[C@H]1CCCCN1Cc1ccc(F)c(C#CCO)c1 ZINC000049617509 523029720 /nfs/dbraw/zinc/02/97/20/523029720.db2.gz PJISRZBGMJOENS-INIZCTEOSA-N 0 3 275.367 2.934 10 30 CFEEHN CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C#CCN)c1 ZINC000049124768 523196105 /nfs/dbraw/zinc/19/61/05/523196105.db2.gz BRIPCCWLLVWQJC-WBVHZDCISA-N 0 3 284.403 2.695 10 30 CFEEHN CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#CCN)cc1 ZINC000049124735 523196392 /nfs/dbraw/zinc/19/63/92/523196392.db2.gz KCRPZLNEAUHJCE-WBVHZDCISA-N 0 3 284.403 2.695 10 30 CFEEHN CC[C@@H]1CCCN(Cc2ccc(OC)c(C#CCO)c2)C1 ZINC000049613058 523252770 /nfs/dbraw/zinc/25/27/70/523252770.db2.gz GMPZHOOFHAYHGV-OAHLLOKOSA-N 0 3 287.403 2.661 10 30 CFEEHN CC[C@@H]1CCCN(Cc2ccc(F)c(C#CCO)c2)C1 ZINC000049613083 523253050 /nfs/dbraw/zinc/25/30/50/523253050.db2.gz UPBPCZUSAHFGBB-CQSZACIVSA-N 0 3 275.367 2.792 10 30 CFEEHN COc1ccc(C#CCO)cc1CN(C)C1CCCCC1 ZINC000049616489 523516024 /nfs/dbraw/zinc/51/60/24/523516024.db2.gz DYVLPCSDAJZHGX-UHFFFAOYSA-N 0 3 287.403 2.804 10 30 CFEEHN COc1ccc(C#CCO)cc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000049616641 523519940 /nfs/dbraw/zinc/51/99/40/523519940.db2.gz INECQFUQDPAJIZ-HUUCEWRRSA-N 0 3 287.403 2.517 10 30 CFEEHN COc1ccc(CN2CCCCCC2)cc1C#CCCO ZINC000049616123 524025878 /nfs/dbraw/zinc/02/58/78/524025878.db2.gz MAPYIPLSVUPSTE-UHFFFAOYSA-N 0 3 287.403 2.805 10 30 CFEEHN C[C@@H]1CCCC[C@@H]1OCCOc1cccc(C#CCN)c1 ZINC000049610690 524150692 /nfs/dbraw/zinc/15/06/92/524150692.db2.gz LACGVDPGWDCLSX-QAPCUYQASA-N 0 3 287.403 2.971 10 30 CFEEHN Cc1cc(C)c(C#N)c(N[C@@H](CN(C)C)C(C)C)n1 ZINC000049218600 524216447 /nfs/dbraw/zinc/21/64/47/524216447.db2.gz HVNLMWVOFMHBCK-AWEZNQCLSA-N 0 3 260.385 2.568 10 30 CFEEHN Cc1ccc(CN(C)Cc2ccc(C#CCN)cc2F)o1 ZINC000049609111 524394727 /nfs/dbraw/zinc/39/47/27/524394727.db2.gz ODQDCQCQBUJZKK-UHFFFAOYSA-N 0 3 286.350 2.669 10 30 CFEEHN Cc1cccc(OCc2ccccc2C#CCN)c1 ZINC000049610494 524765013 /nfs/dbraw/zinc/76/50/13/524765013.db2.gz DUGOQLKHNXCPAW-UHFFFAOYSA-N 0 3 251.329 2.884 10 30 CFEEHN C[C@H](NC(=O)c1ccc(C#CCN)s1)C1CCCCC1 ZINC000052344711 525206042 /nfs/dbraw/zinc/20/60/42/525206042.db2.gz GSQIACTYBNQNMY-LBPRGKRZSA-N 0 3 290.432 2.757 10 30 CFEEHN COc1cccc(OCc2ccc(F)c(C#CCN)c2)c1 ZINC000049610438 526236439 /nfs/dbraw/zinc/23/64/39/526236439.db2.gz ITCVEPNYKVMPGA-UHFFFAOYSA-N 0 3 285.318 2.724 10 30 CFEEHN Cc1nnc(SCc2ccc(F)c(C#CCN)c2)s1 ZINC000049611580 526386481 /nfs/dbraw/zinc/38/64/81/526386481.db2.gz CYJDEXKZLMIXNX-UHFFFAOYSA-N 0 3 293.392 2.588 10 30 CFEEHN N#Cc1cc(O[C@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000061815473 526575614 /nfs/dbraw/zinc/57/56/14/526575614.db2.gz WARZXPJUUNFUCQ-KRWDZBQOSA-N 0 3 279.343 2.607 10 30 CFEEHN N#Cc1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1F ZINC000192075986 526616627 /nfs/dbraw/zinc/61/66/27/526616627.db2.gz GLVBWMNZWDQWSG-WBVHZDCISA-N 0 3 288.366 2.824 10 30 CFEEHN N#Cc1cccc(OCc2ccc(F)cc2C#CCN)c1 ZINC000049610634 526729007 /nfs/dbraw/zinc/72/90/07/526729007.db2.gz PYNQDXOQAAKNSH-UHFFFAOYSA-N 0 3 280.302 2.587 10 30 CFEEHN Cc1occc1CN(C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609922 526823697 /nfs/dbraw/zinc/82/36/97/526823697.db2.gz KWFYZDOHBXRJKQ-UHFFFAOYSA-N 0 3 286.350 2.669 10 30 CFEEHN Cc1nc(C[C@@H]2CCCN(Cc3cccc(C#N)c3)C2)no1 ZINC000195517850 526920671 /nfs/dbraw/zinc/92/06/71/526920671.db2.gz ZDUSMDARODPLNT-INIZCTEOSA-N 0 3 296.374 2.704 10 30 CFEEHN NCC#Cc1cc(COc2ccccc2F)ccc1F ZINC000049610454 527146954 /nfs/dbraw/zinc/14/69/54/527146954.db2.gz ADUHGVZKJLSNPA-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN NCC#Cc1cc(F)ccc1COc1ccccc1F ZINC000049610453 527148632 /nfs/dbraw/zinc/14/86/32/527148632.db2.gz GXGPAMNUXNGSKR-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN NCC#Cc1ccc(COCc2ccccc2)cc1 ZINC000049610343 527150292 /nfs/dbraw/zinc/15/02/92/527150292.db2.gz KTCKDKCTPUQMLG-UHFFFAOYSA-N 0 3 251.329 2.714 10 30 CFEEHN NCC#Cc1ccc(COCc2ccccc2F)cc1 ZINC000069285284 527150673 /nfs/dbraw/zinc/15/06/73/527150673.db2.gz HKOCXZQTZLWHBO-UHFFFAOYSA-N 0 3 269.319 2.853 10 30 CFEEHN NCC#Cc1ccc(COCc2ccccc2F)c(F)c1 ZINC000069285269 527150858 /nfs/dbraw/zinc/15/08/58/527150858.db2.gz AEIHJINKWAQYSU-UHFFFAOYSA-N 0 3 287.309 2.992 10 30 CFEEHN NCC#Cc1cccc(CN2CCc3ccccc3C2)c1 ZINC000049608576 527151657 /nfs/dbraw/zinc/15/16/57/527151657.db2.gz BKLYERUKHVNBRE-UHFFFAOYSA-N 0 3 276.383 2.555 10 30 CFEEHN NCC#Cc1csc(COc2cccc(F)c2F)c1 ZINC000062652437 527156513 /nfs/dbraw/zinc/15/65/13/527156513.db2.gz YTPXIQQHKWTPCX-UHFFFAOYSA-N 0 3 279.311 2.916 10 30 CFEEHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000119191080 637523223 /nfs/dbraw/zinc/52/32/23/637523223.db2.gz KNEOOLABZPIVQQ-CABCVRRESA-N 0 3 286.419 2.674 10 30 CFEEHN N#C[C@@H]1CCCC[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000054826207 346577384 /nfs/dbraw/zinc/57/73/84/346577384.db2.gz GOHFARVKQYHXJX-DZGCQCFKSA-N 0 3 273.336 2.809 10 30 CFEEHN C=C(C)[C@@H](N)c1ccccc1I ZINC000131419519 347877980 /nfs/dbraw/zinc/87/79/80/347877980.db2.gz YLXTUKNLAAQWNV-SNVBAGLBSA-N 0 3 273.117 2.867 10 30 CFEEHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000172908655 348104163 /nfs/dbraw/zinc/10/41/63/348104163.db2.gz WOTYXAICLFEFFG-DLBZAZTESA-N 0 3 290.451 2.969 10 30 CFEEHN C=C[C@H](N)c1cccc(C)c1I ZINC000229299465 348199909 /nfs/dbraw/zinc/19/99/09/348199909.db2.gz IYJIKVYIGJACIS-VIFPVBQESA-N 0 3 273.117 2.785 10 30 CFEEHN O[C@]1(C#Cc2ccccc2)CCN(Cc2ccccc2)C1 ZINC000306174014 348384221 /nfs/dbraw/zinc/38/42/21/348384221.db2.gz MCDXDSMYUCMYPJ-LJQANCHMSA-N 0 3 277.367 2.675 10 30 CFEEHN CN(Cc1ccc(F)cc1C#N)C[C@H]1CCc2nccn2C1 ZINC000328643519 348441902 /nfs/dbraw/zinc/44/19/02/348441902.db2.gz RIKVHQDZIGXHJJ-CYBMUJFWSA-N 0 3 298.365 2.588 10 30 CFEEHN N#C[C@H]1CCC[C@@H]1NC1CCN(Cc2ccccc2)CC1 ZINC000054823756 373530952 /nfs/dbraw/zinc/53/09/52/373530952.db2.gz SGNKNIVNFUOYSA-AEFFLSMTSA-N 0 3 283.419 2.933 10 30 CFEEHN COc1ccc(C[C@H](C)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061891866 373736430 /nfs/dbraw/zinc/73/64/30/373736430.db2.gz OQLSFHUPCAVHLH-JGGQBBKZSA-N 0 3 258.365 2.908 10 30 CFEEHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CCCCC#N ZINC000174238329 379849103 /nfs/dbraw/zinc/84/91/03/379849103.db2.gz ISDOALWXQOIHGC-ZDUSSCGKSA-N 0 3 281.400 2.669 10 30 CFEEHN N#Cc1cccc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188143005 382355969 /nfs/dbraw/zinc/35/59/69/382355969.db2.gz KDHNOJRDOAWOSY-IRXDYDNUSA-N 0 3 298.411 2.828 10 30 CFEEHN C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000183137742 393517089 /nfs/dbraw/zinc/51/70/89/393517089.db2.gz CPXWOSSPJYXRMV-IUODEOHRSA-N 0 3 263.768 2.849 10 30 CFEEHN C=CCSc1ccccc1NC(=O)CNC(C)C ZINC000037495146 173235058 /nfs/dbraw/zinc/23/50/58/173235058.db2.gz QNGSBFJPTDKALM-UHFFFAOYSA-N 0 3 264.394 2.901 10 30 CFEEHN CN(C)CCOc1ccc(C#N)c(C(F)(F)F)c1 ZINC000040239863 174212866 /nfs/dbraw/zinc/21/28/66/174212866.db2.gz QPRPSAJZNAELJJ-UHFFFAOYSA-N 0 3 258.243 2.517 10 30 CFEEHN CC(C)(C)[C@H](N)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000040462838 174271368 /nfs/dbraw/zinc/27/13/68/174271368.db2.gz NKCVIVFQYLLUDT-LLVKDONJSA-N 0 3 265.744 2.524 10 30 CFEEHN N#Cc1ccccc1O[C@H](CN)c1ccccc1F ZINC000043047317 174957359 /nfs/dbraw/zinc/95/73/59/174957359.db2.gz ORAXWQINIZVIGO-OAHLLOKOSA-N 0 3 256.280 2.776 10 30 CFEEHN CC[C@@H](C#N)NC[C@@H](c1ccccc1)N(CC)CC ZINC000043539444 175064001 /nfs/dbraw/zinc/06/40/01/175064001.db2.gz UGKVSWQXWYSTAP-HOTGVXAUSA-N 0 3 259.397 2.961 10 30 CFEEHN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C#CCN)c(F)c1 ZINC000043582623 175070054 /nfs/dbraw/zinc/07/00/54/175070054.db2.gz LJZDVIBCHRADPK-CHWSQXEVSA-N 0 3 288.366 2.539 10 30 CFEEHN CCOC(=O)C[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000043618100 175080228 /nfs/dbraw/zinc/08/02/28/175080228.db2.gz ADHBZJDBALFDSO-NWDGAFQWSA-N 0 3 260.337 2.551 10 30 CFEEHN CC[C@@H](C)N(C)Cc1sccc1C#CCCO ZINC000043679358 175089792 /nfs/dbraw/zinc/08/97/92/175089792.db2.gz XTKAXAMHNNSFTD-GFCCVEGCSA-N 0 3 251.395 2.712 10 30 CFEEHN Cc1ccc(CN(C)Cc2sccc2C#CCN)o1 ZINC000043683680 175092122 /nfs/dbraw/zinc/09/21/22/175092122.db2.gz HSTDKBVCMRVMRS-UHFFFAOYSA-N 0 3 274.389 2.592 10 30 CFEEHN Cc1occc1CN(C)Cc1ccc(C#CCN)s1 ZINC000043684029 175092330 /nfs/dbraw/zinc/09/23/30/175092330.db2.gz DUXCIPYMXSTVGU-UHFFFAOYSA-N 0 3 274.389 2.592 10 30 CFEEHN COc1cccc(OCc2ccc(C#CCN)s2)c1 ZINC000043684723 175092858 /nfs/dbraw/zinc/09/28/58/175092858.db2.gz WBQDHFLNJXSJBU-UHFFFAOYSA-N 0 3 273.357 2.646 10 30 CFEEHN CN(C)c1cccc(OCc2sccc2C#CCN)c1 ZINC000043685405 175093499 /nfs/dbraw/zinc/09/34/99/175093499.db2.gz JITWEFQOXQLYKR-UHFFFAOYSA-N 0 3 286.400 2.703 10 30 CFEEHN COc1ccccc1OCc1sccc1C#CCN ZINC000043684863 175093640 /nfs/dbraw/zinc/09/36/40/175093640.db2.gz FKZYGQMPAPTAEM-UHFFFAOYSA-N 0 3 273.357 2.646 10 30 CFEEHN N#Cc1ccc(OCc2ccc(C#CCN)s2)cc1 ZINC000043684841 175094226 /nfs/dbraw/zinc/09/42/26/175094226.db2.gz CJBJYJPBXGGSSZ-UHFFFAOYSA-N 0 3 268.341 2.509 10 30 CFEEHN CC(C)C[N@@H+]1CCC[C@@H]1C/N=C/c1ccccc1[O-] ZINC000129621687 260840913 /nfs/dbraw/zinc/84/09/13/260840913.db2.gz YOCNKLYNNZYDBZ-ZXMBATIKSA-N 0 3 260.381 2.932 10 30 CFEEHN CC(C)C[N@H+]1CCC[C@@H]1C/N=C/c1ccccc1[O-] ZINC000129621687 260840915 /nfs/dbraw/zinc/84/09/15/260840915.db2.gz YOCNKLYNNZYDBZ-ZXMBATIKSA-N 0 3 260.381 2.932 10 30 CFEEHN CC1(C)CN(c2ccc(Br)cc2C#N)CCN1 ZINC000396003046 265965790 /nfs/dbraw/zinc/96/57/90/265965790.db2.gz MPFWPEIHZSWECU-UHFFFAOYSA-N 0 3 294.196 2.509 10 30 CFEEHN C=CCC[C@@H](N[C@H]1CCCn2nc(C)nc21)C1CC1 ZINC000090224813 275423726 /nfs/dbraw/zinc/42/37/26/275423726.db2.gz WAFGQGHDXNEQAN-KGLIPLIRSA-N 0 3 260.385 2.756 10 30 CFEEHN C[C@H](C#N)CN[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551190 328306720 /nfs/dbraw/zinc/30/67/20/328306720.db2.gz GCZPHLIPVZLCOU-HZSPNIEDSA-N 0 3 295.427 2.771 10 30 CFEEHN C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000172908649 329140406 /nfs/dbraw/zinc/14/04/06/329140406.db2.gz WOTYXAICLFEFFG-SJORKVTESA-N 0 3 290.451 2.969 10 30 CFEEHN CC(C)(C)OC(=O)C(C)(C)[C@H](N)c1ccc(C#N)cc1 ZINC000536960243 330384166 /nfs/dbraw/zinc/38/41/66/330384166.db2.gz XDHSRKORWQERTB-CYBMUJFWSA-N 0 3 274.364 2.926 10 30 CFEEHN CC[C@H](CC#N)N[C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400367216 332707677 /nfs/dbraw/zinc/70/76/77/332707677.db2.gz SBYUIAGAEWKNPC-MELADBBJSA-N 0 3 295.427 2.914 10 30 CFEEHN N#C[C@@H]1CCC[C@H]1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000250647588 334347736 /nfs/dbraw/zinc/34/77/36/334347736.db2.gz MXZGQQSCKOXBAJ-YESZJQIVSA-N 0 3 269.392 2.543 10 30 CFEEHN COc1ccc2c(c1)C[C@H](N[C@@H]1CCC[C@H]1C#N)CC2 ZINC000252700682 334385730 /nfs/dbraw/zinc/38/57/30/334385730.db2.gz AWZAZZVSLJYBJP-YSVLISHTSA-N 0 3 270.376 2.834 10 30 CFEEHN CCC(C)(C)OCc1ccc(OC)c(C#CCN)c1 ZINC000049610952 521359645 /nfs/dbraw/zinc/35/96/45/521359645.db2.gz RDTXISJDYXIWDY-UHFFFAOYSA-N 0 3 261.365 2.711 10 30 CFEEHN C#CCNCCn1c(C)c(Br)c2ccccc21 ZINC000055331923 518287440 /nfs/dbraw/zinc/28/74/40/518287440.db2.gz NONWEFBUCCWFNF-UHFFFAOYSA-N 0 3 291.192 2.935 10 30 CFEEHN C=C(C)COc1cc(CNC2CC2)ccc1[N+](=O)[O-] ZINC000050517256 518611824 /nfs/dbraw/zinc/61/18/24/518611824.db2.gz QKZJCBZUPGRZHP-UHFFFAOYSA-N 0 3 262.309 2.802 10 30 CFEEHN C=CCNC(=O)COc1ccc(Cl)cc1[C@H](C)NCC ZINC000050210232 518895689 /nfs/dbraw/zinc/89/56/89/518895689.db2.gz JIJWAUUIJQLJOK-NSHDSACASA-N 0 3 296.798 2.692 10 30 CFEEHN CCCC1CCN(C(=O)c2ccc(C#CCN)s2)CC1 ZINC000050907103 519900306 /nfs/dbraw/zinc/90/03/06/519900306.db2.gz FWGIQVAQJWHLRE-UHFFFAOYSA-N 0 3 290.432 2.711 10 30 CFEEHN CC[C@@H](C)CN(C)Cc1ccc(C#CCO)cc1F ZINC000049617903 521972079 /nfs/dbraw/zinc/97/20/79/521972079.db2.gz MIYXIFSJBJHPQM-CYBMUJFWSA-N 0 3 263.356 2.647 10 30 CFEEHN CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#CCN)cc1 ZINC000049124739 523041874 /nfs/dbraw/zinc/04/18/74/523041874.db2.gz KCRPZLNEAUHJCE-RDJZCZTQSA-N 0 3 284.403 2.695 10 30 CFEEHN CN(Cc1ccccc1)Cc1ccc(C#CCO)cc1 ZINC000049616318 523347840 /nfs/dbraw/zinc/34/78/40/523347840.db2.gz CSZCSVKLJSEANH-UHFFFAOYSA-N 0 3 265.356 2.662 10 30 CFEEHN COc1ccc(C#CCCO)cc1CN(C)CCC(C)C ZINC000049614886 523511401 /nfs/dbraw/zinc/51/14/01/523511401.db2.gz VCHCRVCTIVYVRE-UHFFFAOYSA-N 0 3 289.419 2.907 10 30 CFEEHN CCc1c(C)nn(Cc2ccc(C#CCN)cc2F)c1C ZINC000049610258 523716212 /nfs/dbraw/zinc/71/62/12/523716212.db2.gz YMSRMILWGYHNHC-UHFFFAOYSA-N 0 3 285.366 2.560 10 30 CFEEHN COc1ccc(COCc2cccs2)cc1C#CCN ZINC000049611168 524118889 /nfs/dbraw/zinc/11/88/89/524118889.db2.gz KCMTZQNDXUZRQK-UHFFFAOYSA-N 0 3 287.384 2.784 10 30 CFEEHN C[C@H]1CCC[C@H](C)N1Cc1ccc(F)cc1C#CCO ZINC000049616923 524190035 /nfs/dbraw/zinc/19/00/35/524190035.db2.gz WPKMDZKFJQFVAN-KBPBESRZSA-N 0 3 275.367 2.932 10 30 CFEEHN C[C@@H]1CCCN(Cc2ccc(C#CCO)cc2F)[C@@H]1C ZINC000050566729 524233400 /nfs/dbraw/zinc/23/34/00/524233400.db2.gz VIDGDKFYYFFVDU-ZIAGYGMSSA-N 0 3 275.367 2.790 10 30 CFEEHN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(C#CCO)cc1F ZINC000049616914 524279477 /nfs/dbraw/zinc/27/94/77/524279477.db2.gz VEVVNQOVFQUPBF-ZIAGYGMSSA-N 0 3 275.367 2.932 10 30 CFEEHN Cc1ccc(CN(C)Cc2cccc(C#CCO)c2)cc1 ZINC000049617051 524396083 /nfs/dbraw/zinc/39/60/83/524396083.db2.gz FJCTYPQKKUEQKR-UHFFFAOYSA-N 0 3 279.383 2.971 10 30 CFEEHN Cc1cc(Cl)ccc1NC(=O)c1cncc(C#CCN)c1 ZINC000049629483 524900663 /nfs/dbraw/zinc/90/06/63/524900663.db2.gz FITQCSWCCKBZJB-UHFFFAOYSA-N 0 3 299.761 2.606 10 30 CFEEHN C[C@@H](NC(=O)c1cccs1)c1ccc(C#CCN)cc1 ZINC000049586746 525362002 /nfs/dbraw/zinc/36/20/02/525362002.db2.gz FFHHZRGQAXXKHW-GFCCVEGCSA-N 0 3 284.384 2.549 10 30 CFEEHN Cc1ccsc1C(=O)N(C)Cc1ccc(C#CCN)cc1 ZINC000049586623 525817105 /nfs/dbraw/zinc/81/71/05/525817105.db2.gz QZACSMBQQVDLIN-UHFFFAOYSA-N 0 3 298.411 2.639 10 30 CFEEHN Cc1ccc(C(=O)Nc2cc(C#CCN)ccc2Cl)cn1 ZINC000061692010 526218042 /nfs/dbraw/zinc/21/80/42/526218042.db2.gz NAOSQZXFDXRBHW-UHFFFAOYSA-N 0 3 299.761 2.606 10 30 CFEEHN C[C@H]1CCCCN1Cc1ccc(F)c(C#CCCO)c1 ZINC000049615766 526251442 /nfs/dbraw/zinc/25/14/42/526251442.db2.gz XJBFLVDPUSOQRF-AWEZNQCLSA-N 0 3 275.367 2.934 10 30 CFEEHN N#Cc1cc(F)ccc1CN1CCC(c2ccn[nH]2)CC1 ZINC000171382724 526559180 /nfs/dbraw/zinc/55/91/80/526559180.db2.gz CZSPBXBPABVCCT-UHFFFAOYSA-N 0 3 284.338 2.800 10 30 CFEEHN N#Cc1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1F ZINC000192075981 526617585 /nfs/dbraw/zinc/61/75/85/526617585.db2.gz GLVBWMNZWDQWSG-NVXWUHKLSA-N 0 3 288.366 2.824 10 30 CFEEHN NCC#Cc1cc(COCc2ccccc2F)ccc1F ZINC000069285290 527147258 /nfs/dbraw/zinc/14/72/58/527147258.db2.gz HKVJQBNBYMLQPR-UHFFFAOYSA-N 0 3 287.309 2.992 10 30 CFEEHN NCC#Cc1ccc(OCCOc2ccc(F)cc2)cc1 ZINC000049610513 527151898 /nfs/dbraw/zinc/15/18/98/527151898.db2.gz IAXYNROBWYVAIE-UHFFFAOYSA-N 0 3 285.318 2.594 10 30 CFEEHN OCC#Cc1cc(CN2CCCCCCC2)ccc1F ZINC000049617073 527518395 /nfs/dbraw/zinc/51/83/95/527518395.db2.gz DJPQBUFIBAILJT-UHFFFAOYSA-N 0 3 275.367 2.936 10 30 CFEEHN CC(C)(C)OC(=O)N1CCC(N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000061891991 623240029 /nfs/dbraw/zinc/24/00/29/623240029.db2.gz WLXIAOVHEKVFNB-OCCSQVGLSA-N 0 3 293.411 2.668 10 30 CFEEHN C=C[C@H](CC(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000128721006 187386414 /nfs/dbraw/zinc/38/64/14/187386414.db2.gz FNAJFHSXMCRFBB-GDBMZVCRSA-N 0 3 272.392 2.509 10 30 CFEEHN C=C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccccc1 ZINC000225395257 348177501 /nfs/dbraw/zinc/17/75/01/348177501.db2.gz DBINPUXVFATNIE-DZKIICNBSA-N 0 3 285.391 2.705 10 30 biogenic,in-vitro CFEEHN C=C(C)C[C@@H](N)c1cc(OC)c(OC)cc1OC ZINC000229735030 348202901 /nfs/dbraw/zinc/20/29/01/348202901.db2.gz IHLLZZMVVXRZBO-LLVKDONJSA-N 0 3 251.326 2.678 10 30 CFEEHN C#C[C@@H](N)c1ccc(Br)cc1Br ZINC000236301576 348232919 /nfs/dbraw/zinc/23/29/19/348232919.db2.gz DXEXUHABFLYIDH-SECBINFHSA-N 0 3 288.970 2.845 10 30 CFEEHN Cc1cc(C#N)ccc1CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000253310350 348300442 /nfs/dbraw/zinc/30/04/42/348300442.db2.gz UFPKNHCJDZHBAI-QAPCUYQASA-N 0 3 283.419 2.925 10 30 CFEEHN C=CCN(CC=C)C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000584627841 348694576 /nfs/dbraw/zinc/69/45/76/348694576.db2.gz KDVYCWWJAYQUKI-QGZVFWFLSA-N 0 3 287.403 2.589 10 30 CFEEHN CC(C)[NH2+]CC/N=C/c1cc(Br)ccc1[O-] ZINC000584635485 348698234 /nfs/dbraw/zinc/69/82/34/348698234.db2.gz JIBUUSBLOYJROJ-RIYZIHGNSA-N 0 3 285.185 2.572 10 30 CFEEHN Cc1cnn([C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)c1 ZINC000105899895 186087421 /nfs/dbraw/zinc/08/74/21/186087421.db2.gz CTRISILTLVHBFK-QGZVFWFLSA-N 0 3 280.375 2.900 10 30 CFEEHN CCCCCCCCNC(=O)[C@@H](N)CCSC ZINC000106273357 186106501 /nfs/dbraw/zinc/10/65/01/186106501.db2.gz DOUMLKRVZCUTJA-LBPRGKRZSA-N 0 3 260.447 2.544 10 30 CFEEHN CC(C)(C)N1CCOC[C@@H](c2ccccc2C#N)C1 ZINC000616660873 352402700 /nfs/dbraw/zinc/40/27/00/352402700.db2.gz PXFXRJPHXQIUIJ-AWEZNQCLSA-N 0 3 258.365 2.773 10 30 CFEEHN N#C[C@@H]1CCOC12CCN(Cc1ccccc1)CC2 ZINC000675080714 540676663 /nfs/dbraw/zinc/67/66/63/540676663.db2.gz TYNVPTUAOFEZIL-HNNXBMFYSA-N 0 3 256.349 2.581 10 30 CFEEHN CN(C)C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccccc1 ZINC000176890621 189013328 /nfs/dbraw/zinc/01/33/28/189013328.db2.gz GYUZLZVCRUHTJF-CQSZACIVSA-N 0 3 299.399 2.652 10 30 CFEEHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000180881803 189281806 /nfs/dbraw/zinc/28/18/06/189281806.db2.gz SIILKUZMFVBYMY-JSGCOSHPSA-N 0 3 279.380 2.682 10 30 CFEEHN CC(C)[C@H](C)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000012669079 371980277 /nfs/dbraw/zinc/98/02/77/371980277.db2.gz NVNIZEAWLZNZML-NWDGAFQWSA-N 0 3 259.353 2.519 10 30 CFEEHN CC(C#N)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000044825985 373010267 /nfs/dbraw/zinc/01/02/67/373010267.db2.gz IGSWWTVAYOVCAP-BDAKNGLRSA-N 0 3 281.153 2.786 10 30 CFEEHN C#CCOc1cccc(CNC[C@@H](O)c2ccccc2)c1 ZINC000045945852 373039018 /nfs/dbraw/zinc/03/90/18/373039018.db2.gz OOAPCULLTKHXGY-GOSISDBHSA-N 0 3 281.355 2.522 10 30 CFEEHN N#C[C@@H]1CCC[C@H]1NC1CCN(Cc2ccccc2)CC1 ZINC000054823757 373529357 /nfs/dbraw/zinc/52/93/57/373529357.db2.gz SGNKNIVNFUOYSA-FUHWJXTLSA-N 0 3 283.419 2.933 10 30 CFEEHN C[C@H](CCNCc1ccc(C#N)o1)NC(=O)OC(C)(C)C ZINC000174355673 379871386 /nfs/dbraw/zinc/87/13/86/379871386.db2.gz VAUZWTTUYIEYMG-LLVKDONJSA-N 0 3 293.367 2.544 10 30 CFEEHN Cc1ccnc(NC[C@H]2CCN(Cc3ccc(C#N)o3)C2)c1 ZINC000371371187 381601109 /nfs/dbraw/zinc/60/11/09/381601109.db2.gz ASYMMQCGLYDMIG-CQSZACIVSA-N 0 3 296.374 2.789 10 30 CFEEHN C=CCOc1cccc(CN2CCN3CCCC[C@H]3C2)c1 ZINC000245561724 383008438 /nfs/dbraw/zinc/00/84/38/383008438.db2.gz OEJJDXXPCSSUIB-KRWDZBQOSA-N 0 3 286.419 2.922 10 30 CFEEHN C=CCC[C@H](O)CN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000245993895 383056611 /nfs/dbraw/zinc/05/66/11/383056611.db2.gz HAFYCYIQXIWBCE-KGLIPLIRSA-N 0 3 280.437 2.958 10 30 CFEEHN CCc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122328892 393967829 /nfs/dbraw/zinc/96/78/29/393967829.db2.gz GZHIQRLDSATAQR-KGLIPLIRSA-N 0 3 287.407 2.660 10 30 CFEEHN CCc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122329358 393968112 /nfs/dbraw/zinc/96/81/12/393968112.db2.gz GZHIQRLDSATAQR-ZIAGYGMSSA-N 0 3 287.407 2.660 10 30 CFEEHN CN(C)CCN[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000020175379 171041882 /nfs/dbraw/zinc/04/18/82/171041882.db2.gz YRJNATPDCOWBGV-OAHLLOKOSA-N 0 3 259.397 2.700 10 30 CFEEHN CC(C)(C)[C@H](N)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000040459350 174269596 /nfs/dbraw/zinc/26/95/96/174269596.db2.gz POGGEVLZXYNYNC-LLVKDONJSA-N 0 3 265.744 2.524 10 30 CFEEHN CN(Cc1csc(C#CCN)c1)C(=O)C1CCCCC1 ZINC000042364929 174697389 /nfs/dbraw/zinc/69/73/89/174697389.db2.gz OGKUELZCOCUEMQ-UHFFFAOYSA-N 0 3 290.432 2.597 10 30 CFEEHN CC(C)(C)CC(C)(C)NC(=O)c1ccccc1C#CCN ZINC000043438585 175045624 /nfs/dbraw/zinc/04/56/24/175045624.db2.gz JHGYNGFWXSJJSP-UHFFFAOYSA-N 0 3 286.419 2.941 10 30 CFEEHN C#CCCOc1ccc2c(c1)OC(C)(C)C[C@H]2NC ZINC000043460291 175051318 /nfs/dbraw/zinc/05/13/18/175051318.db2.gz PEOWFAWJEYKNBF-CQSZACIVSA-N 0 3 259.349 2.910 10 30 CFEEHN COc1cc(CNC2CC2)cc(Cl)c1O[C@H](C)C#N ZINC000043513392 175061558 /nfs/dbraw/zinc/06/15/58/175061558.db2.gz DUPBDMPSQFJGOI-SECBINFHSA-N 0 3 280.755 2.891 10 30 CFEEHN NCC#Cc1ccc(C(=O)Nc2ccccc2F)cc1F ZINC000043582601 175070025 /nfs/dbraw/zinc/07/00/25/175070025.db2.gz WIBQLSPLBLREQC-UHFFFAOYSA-N 0 3 286.281 2.527 10 30 CFEEHN NCC#Cc1ccc(C(=O)Nc2cccc(F)c2)cc1F ZINC000043582587 175070098 /nfs/dbraw/zinc/07/00/98/175070098.db2.gz MNGPCKPYJDBISD-UHFFFAOYSA-N 0 3 286.281 2.527 10 30 CFEEHN NCC#Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1F ZINC000043582596 175070209 /nfs/dbraw/zinc/07/02/09/175070209.db2.gz LTQQDJAZEPLEBH-UHFFFAOYSA-N 0 3 286.281 2.527 10 30 CFEEHN Cc1ccc(NC(=O)c2ccc(C#CCN)c(F)c2)cc1 ZINC000043589586 175073503 /nfs/dbraw/zinc/07/35/03/175073503.db2.gz QZTXNVGSEGHYCJ-UHFFFAOYSA-N 0 3 282.318 2.697 10 30 CFEEHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(C#CCO)s1 ZINC000043679261 175090044 /nfs/dbraw/zinc/09/00/44/175090044.db2.gz QAUOKEYJRBHYBJ-BETUJISGSA-N 0 3 263.406 2.855 10 30 CFEEHN CN(Cc1ccc(C#CCN)s1)Cc1ccc(F)cc1 ZINC000043684052 175092409 /nfs/dbraw/zinc/09/24/09/175092409.db2.gz XQYXHNQKVYFRDT-UHFFFAOYSA-N 0 3 288.391 2.829 10 30 CFEEHN N#Cc1c(F)cccc1OCc1ccc(C#CCN)s1 ZINC000043685291 175093766 /nfs/dbraw/zinc/09/37/66/175093766.db2.gz RSXBUOQIIVELLI-UHFFFAOYSA-N 0 3 286.331 2.648 10 30 CFEEHN N#Cc1ccccc1OCc1sccc1C#CCN ZINC000043685109 175093899 /nfs/dbraw/zinc/09/38/99/175093899.db2.gz LDPWSURXTKYCRU-UHFFFAOYSA-N 0 3 268.341 2.509 10 30 CFEEHN C[C@@H](CN1CCCC1)Nc1nc2c(cc1C#N)CCCC2 ZINC000044420060 175173909 /nfs/dbraw/zinc/17/39/09/175173909.db2.gz AUWOSYQITIXHAB-ZDUSSCGKSA-N 0 3 284.407 2.728 10 30 CFEEHN NCC#Cc1ccccc1Cn1ccnc1-c1cccs1 ZINC000045048661 175297185 /nfs/dbraw/zinc/29/71/85/175297185.db2.gz TWWOEGBLEGIAQF-UHFFFAOYSA-N 0 3 293.395 2.970 10 30 CFEEHN CN(C)c1cccc2c1C(=O)N(Cc1ccccc1)C2C#N ZINC000071679305 176244475 /nfs/dbraw/zinc/24/44/75/176244475.db2.gz UMKODEURPQIQHD-INIZCTEOSA-N 0 3 291.354 2.973 10 30 CFEEHN Cc1ccccc1[C@H](C)NCC(=O)N[C@](C)(C#N)C(C)C ZINC000123189085 268005877 /nfs/dbraw/zinc/00/58/77/268005877.db2.gz JDPWWOYZJKSHJC-WMLDXEAASA-N 0 3 287.407 2.700 10 30 CFEEHN N#C[C@H]1CC[C@H](N2CCC(c3noc(C4CC4)n3)CC2)C1 ZINC000328793099 328458445 /nfs/dbraw/zinc/45/84/45/328458445.db2.gz BYTKOAAWZCAGJU-FZMZJTMJSA-N 0 3 286.379 2.819 10 30 CFEEHN C=CCC1(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CCC1 ZINC000189261270 329379094 /nfs/dbraw/zinc/37/90/94/329379094.db2.gz ZIOFHNZLPWPPRL-KBPBESRZSA-N 0 3 264.413 2.578 10 30 CFEEHN CCCCCCCCC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116787867 329545242 /nfs/dbraw/zinc/54/52/42/329545242.db2.gz IUISFMQCNXBLRZ-OAHLLOKOSA-N 0 3 284.444 2.526 10 30 CFEEHN CCC(CC)C(=O)N[C@H](C)c1cccc(C#CCN)c1 ZINC000049587228 521500475 /nfs/dbraw/zinc/50/04/75/521500475.db2.gz UQSRRCJQQZSQDF-CYBMUJFWSA-N 0 3 272.392 2.610 10 30 CFEEHN CCCCC(=O)Nc1cc(C#CCN)ccc1Cl ZINC000061691977 519913652 /nfs/dbraw/zinc/91/36/52/519913652.db2.gz BYCMBIXIKAEUKC-UHFFFAOYSA-N 0 3 264.756 2.779 10 30 CFEEHN CCCCC[C@@H](C)NC(=O)c1cc(C#CCN)ccc1F ZINC000049105961 520283692 /nfs/dbraw/zinc/28/36/92/520283692.db2.gz YCBPDRXXIKJQQQ-CYBMUJFWSA-N 0 3 290.382 2.835 10 30 CFEEHN CCC[C@H](C)C(=O)N[C@@H](C)c1ccc(C#CCN)cc1 ZINC000049586694 521003949 /nfs/dbraw/zinc/00/39/49/521003949.db2.gz VBFKAVSZDUUEIV-KBPBESRZSA-N 0 3 272.392 2.610 10 30 CFEEHN CCN(Cc1cc(C#CCCO)ccc1OC)C(C)C ZINC000049617429 521287485 /nfs/dbraw/zinc/28/74/85/521287485.db2.gz NVMAFWSNWMMJEI-UHFFFAOYSA-N 0 3 275.392 2.659 10 30 CFEEHN CCC(CC)N(C)Cc1cc(C#CCO)ccc1OC ZINC000049618655 521542646 /nfs/dbraw/zinc/54/26/46/521542646.db2.gz ZDRXEDIGIYTKJQ-UHFFFAOYSA-N 0 3 275.392 2.659 10 30 CFEEHN CCN1CCC[C@H](NC2=N[C@H](CC(C)C)CS2)C1 ZINC000049221553 521641543 /nfs/dbraw/zinc/64/15/43/521641543.db2.gz KDVKWIDLBAPBBZ-QWHCGFSZSA-N 0 3 269.458 2.578 10 30 CFEEHN CC[C@H](NC(=O)c1ccc(C#CCN)cc1)c1cccs1 ZINC000049533321 522528284 /nfs/dbraw/zinc/52/82/84/522528284.db2.gz OFAAYACNHIWEIX-HNNXBMFYSA-N 0 3 298.411 2.939 10 30 CFEEHN COc1ccc(C#CCCO)cc1CN(C)CC(C)C ZINC000049617752 523511505 /nfs/dbraw/zinc/51/15/05/523511505.db2.gz JBXQZKRKTRNUPJ-UHFFFAOYSA-N 0 3 275.392 2.517 10 30 CFEEHN COc1ccc(C#CCN)cc1COCCC(C)C ZINC000049610611 523515109 /nfs/dbraw/zinc/51/51/09/523515109.db2.gz AOGYWOQDIDNOAY-UHFFFAOYSA-N 0 3 261.365 2.568 10 30 CFEEHN COc1ccc(C#CCO)cc1CN1C[C@H](C)C[C@H](C)C1 ZINC000049616638 523520240 /nfs/dbraw/zinc/52/02/40/523520240.db2.gz INECQFUQDPAJIZ-GASCZTMLSA-N 0 3 287.403 2.517 10 30 CFEEHN CC[C@H](C)CN(C)Cc1cc(C#CCCO)ccc1OC ZINC000049617872 523869274 /nfs/dbraw/zinc/86/92/74/523869274.db2.gz VIKLXMHHJODOCD-HNNXBMFYSA-N 0 3 289.419 2.907 10 30 CFEEHN C[C@@H]1CCCC[C@H]1OCCOc1ccc(C#CCN)cc1 ZINC000049610672 524180188 /nfs/dbraw/zinc/18/01/88/524180188.db2.gz GXFSSWNBYCIKBH-CRAIPNDOSA-N 0 3 287.403 2.971 10 30 CFEEHN Cc1cccc(OCCOc2cccc(C#CCN)c2)c1 ZINC000049610498 524750870 /nfs/dbraw/zinc/75/08/70/524750870.db2.gz ATBHAWJHXYTVQU-UHFFFAOYSA-N 0 3 281.355 2.763 10 30 CFEEHN COc1ccc(OCc2cccc(C#CCN)c2)cc1 ZINC000049610572 524974098 /nfs/dbraw/zinc/97/40/98/524974098.db2.gz PXQDXTHCFCFREK-UHFFFAOYSA-N 0 3 267.328 2.584 10 30 CFEEHN COc1ccc(OCc2ccccc2C#CCN)cc1 ZINC000049610569 524974442 /nfs/dbraw/zinc/97/44/42/524974442.db2.gz JRJWUCYYQOAEOW-UHFFFAOYSA-N 0 3 267.328 2.584 10 30 CFEEHN C[C@H]1CCCCN1Cc1ccc(C#CCCO)cc1F ZINC000049615709 526251222 /nfs/dbraw/zinc/25/12/22/526251222.db2.gz FFHLYMVIGUGEAG-AWEZNQCLSA-N 0 3 275.367 2.934 10 30 CFEEHN Cc1nc(C[C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)no1 ZINC000161044977 526920330 /nfs/dbraw/zinc/92/03/30/526920330.db2.gz CZWGVFFCWGFVHG-INIZCTEOSA-N 0 3 296.374 2.704 10 30 CFEEHN NCC#Cc1cc(F)ccc1Cn1ncc2ccccc21 ZINC000050527414 527148699 /nfs/dbraw/zinc/14/86/99/527148699.db2.gz PGKDKNYMDLERNM-UHFFFAOYSA-N 0 3 279.318 2.534 10 30 CFEEHN NCC#Cc1cc(F)ccc1COc1ccc(F)cc1 ZINC000049610521 527149127 /nfs/dbraw/zinc/14/91/27/527149127.db2.gz BDXOMOUTALFBAN-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN NCC#Cc1cccc(C(=O)Nc2nc(C3CC3)cs2)c1 ZINC000049239576 527152253 /nfs/dbraw/zinc/15/22/53/527152253.db2.gz RRKOCCTVOCWYAE-UHFFFAOYSA-N 0 3 297.383 2.583 10 30 CFEEHN NCC#Cc1ccccc1CNC(=O)c1cccc(Cl)c1 ZINC000049586396 527155373 /nfs/dbraw/zinc/15/53/73/527155373.db2.gz OHYJYKBFSRGFPL-UHFFFAOYSA-N 0 3 298.773 2.580 10 30 CFEEHN Cc1nc2ccccc2n1Cc1ccc(C#CCN)cc1 ZINC000049610028 527171834 /nfs/dbraw/zinc/17/18/34/527171834.db2.gz FHEVOLOFCFUJRP-UHFFFAOYSA-N 0 3 275.355 2.703 10 30 CFEEHN C=C(Br)CN1C[C@H]2CCCCN2C[C@@H]1CC ZINC000129817665 645410336 /nfs/dbraw/zinc/41/03/36/645410336.db2.gz FXHKPWIJJJMFLM-QWHCGFSZSA-N 0 3 287.245 2.844 10 30 CFEEHN C#CC(C)(C)NCc1cccc(Br)c1 ZINC000069679384 346898005 /nfs/dbraw/zinc/89/80/05/346898005.db2.gz LJCWZOMWQDLOGV-UHFFFAOYSA-N 0 3 252.155 2.951 10 30 CFEEHN C=CCOc1ccccc1CN[C@@H]1CCC[C@@H](O)C1 ZINC000037321034 346328780 /nfs/dbraw/zinc/32/87/80/346328780.db2.gz YTUDDRAUYOYUEF-HUUCEWRRSA-N 0 3 261.365 2.645 10 30 CFEEHN CC(C#N)C(=O)c1ccc(Br)cc1F ZINC000036931606 346325212 /nfs/dbraw/zinc/32/52/12/346325212.db2.gz NNFFBCGVIFPVPC-LURJTMIESA-N 0 3 256.074 2.931 10 30 CFEEHN CNC(=N)Nc1c(Cl)cc(Cl)cc1Cl ZINC000052069046 346511931 /nfs/dbraw/zinc/51/19/31/346511931.db2.gz YYAZJQAKDSWWSN-UHFFFAOYSA-N 0 3 252.532 2.812 10 30 CFEEHN C#CC[C@@H](NC)c1csc(I)c1 ZINC000168575080 348049085 /nfs/dbraw/zinc/04/90/85/348049085.db2.gz DRYSDIKEYDOHSM-MRVPVSSYSA-N 0 3 291.157 2.637 10 30 CFEEHN CCN(CCN(C)Cc1ccc(F)cc1)C[C@@H](C)C#N ZINC000173200829 348106764 /nfs/dbraw/zinc/10/67/64/348106764.db2.gz BMBLZMWQZAZFKP-AWEZNQCLSA-N 0 3 277.387 2.739 10 30 CFEEHN C=C(Cl)CNC1CC(NC(=O)OCc2ccccc2)C1 ZINC000236019642 348231140 /nfs/dbraw/zinc/23/11/40/348231140.db2.gz YCAZAGNPUNQVOI-UHFFFAOYSA-N 0 3 294.782 2.786 10 30 CFEEHN CC(C)[C@H](N)C#Cc1cscc1Br ZINC000300998594 348370652 /nfs/dbraw/zinc/37/06/52/348370652.db2.gz WSNXHJZKKRKLAX-SNVBAGLBSA-N 0 3 258.184 2.845 10 30 CFEEHN C=C[C@@H](C)CC1([C@H](N)Cc2ccccc2)OCCO1 ZINC000584614834 348690692 /nfs/dbraw/zinc/69/06/92/348690692.db2.gz LCEOWEGJBRZFRJ-UKRRQHHQSA-N 0 3 261.365 2.512 10 30 CFEEHN N#CC(c1cccnc1Cl)S(=O)(=O)c1ccccc1 ZINC000584633635 348697500 /nfs/dbraw/zinc/69/75/00/348697500.db2.gz WYCQUSZYBRHLLW-GFCCVEGCSA-N 0 3 292.747 2.774 10 30 CFEEHN C#CCOc1c(CNCCCCC)cccc1OC ZINC000045945731 373039213 /nfs/dbraw/zinc/03/92/13/373039213.db2.gz OHKBVFQNMLNMLE-UHFFFAOYSA-N 0 3 261.365 2.987 10 30 CFEEHN C=CCN(CC=C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000068048764 374020041 /nfs/dbraw/zinc/02/00/41/374020041.db2.gz BSNNFGWURFTXEP-MRXNPFEDSA-N 0 3 295.810 2.892 10 30 CFEEHN Cc1cccc(NC[C@@H]2CCN(Cc3ccc(C#N)o3)C2)n1 ZINC000092813157 375161194 /nfs/dbraw/zinc/16/11/94/375161194.db2.gz IULCUDNZLXAFJO-AWEZNQCLSA-N 0 3 296.374 2.789 10 30 CFEEHN N#C[C@@H]1[C@H]2CSC[C@@H]1CN(Cc1ccccc1)C2 ZINC000100558566 375624112 /nfs/dbraw/zinc/62/41/12/375624112.db2.gz MNHXONWSQPABFI-QDMKHBRRSA-N 0 3 258.390 2.621 10 30 CFEEHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc2ccccc2c1 ZINC000119306201 376391074 /nfs/dbraw/zinc/39/10/74/376391074.db2.gz ANYOJJHXCTUDRZ-KBPBESRZSA-N 0 3 280.371 2.628 10 30 CFEEHN C=C(Cl)CNC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000127323649 377274697 /nfs/dbraw/zinc/27/46/97/377274697.db2.gz ZUSZMNVIWLLPHE-LBPRGKRZSA-N 0 3 288.819 2.976 10 30 CFEEHN C[C@H](CNc1c(C#N)cccc1C#N)N1CCC[C@@H](C)C1 ZINC000302860106 382335498 /nfs/dbraw/zinc/33/54/98/382335498.db2.gz UMPHCWHUCTZHCD-ZIAGYGMSSA-N 0 3 282.391 2.962 10 30 CFEEHN CC(C)NCC#Cc1sccc1Br ZINC000575469455 382772580 /nfs/dbraw/zinc/77/25/80/382772580.db2.gz NAARTDXVVKNRRH-UHFFFAOYSA-N 0 3 258.184 2.860 10 30 CFEEHN CN(CCCN[C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000249984663 383368095 /nfs/dbraw/zinc/36/80/95/383368095.db2.gz MGAAHXSJMPZEMH-HOCLYGCPSA-N 0 3 257.381 2.795 10 30 CFEEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccccc1C#N ZINC000252661881 383424120 /nfs/dbraw/zinc/42/41/20/383424120.db2.gz QQUQCMHZHCIEOK-PBHICJAKSA-N 0 3 269.392 2.617 10 30 CFEEHN C[C@H](c1ccc(C#N)cc1)N1CCN2CCCC[C@@H]2C1 ZINC000177769319 394385003 /nfs/dbraw/zinc/38/50/03/394385003.db2.gz OKPGMVBJMANTSJ-RHSMWYFYSA-N 0 3 269.392 2.789 10 30 CFEEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037393478 173173987 /nfs/dbraw/zinc/17/39/87/173173987.db2.gz YICIAHNTPIZWQM-PRHODGIISA-N 0 3 265.744 2.524 10 30 CFEEHN NCC#Cc1cc(F)ccc1OCc1ccccc1 ZINC000037548069 173264889 /nfs/dbraw/zinc/26/48/89/173264889.db2.gz YOHAYVQXKAPWOK-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN C=CCOc1ccccc1CN[C@H]1CCCN(CC)C1 ZINC000040502763 174299097 /nfs/dbraw/zinc/29/90/97/174299097.db2.gz MDUXJCTUIHZXQM-INIZCTEOSA-N 0 3 274.408 2.825 10 30 CFEEHN C[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc(C#CCN)c1 ZINC000042613250 174825895 /nfs/dbraw/zinc/82/58/95/174825895.db2.gz RAEXFCSMENZRAZ-WMLDXEAASA-N 0 3 284.403 2.648 10 30 CFEEHN N#Cc1cccc(O[C@H](CN)c2ccccc2F)c1 ZINC000043047790 174957335 /nfs/dbraw/zinc/95/73/35/174957335.db2.gz XPUMJZWHAJXSRM-OAHLLOKOSA-N 0 3 256.280 2.776 10 30 CFEEHN COc1cc(C#N)ccc1O[C@@H](CN)c1ccc(C)o1 ZINC000043365721 175026986 /nfs/dbraw/zinc/02/69/86/175026986.db2.gz WUWWKGUNOQMDON-HNNXBMFYSA-N 0 3 272.304 2.547 10 30 CFEEHN NCC#Cc1ccc(OCc2cc(F)ccc2F)cc1 ZINC000043459909 175050293 /nfs/dbraw/zinc/05/02/93/175050293.db2.gz KBOUZIGALZQWNS-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN CC[C@H](C#N)Oc1ccc([N+](=O)[O-])cc1CNC1CC1 ZINC000043538915 175064061 /nfs/dbraw/zinc/06/40/61/175064061.db2.gz KTURFQKTBKJELM-CYBMUJFWSA-N 0 3 275.308 2.528 10 30 CFEEHN C[C@@H]1CCCCN1Cc1sccc1C#CCCO ZINC000043678841 175090073 /nfs/dbraw/zinc/09/00/73/175090073.db2.gz JRHAIYYELNGPTH-CYBMUJFWSA-N 0 3 263.406 2.856 10 30 CFEEHN COCCN(Cc1sccc1C#CCCO)CC(C)C ZINC000043679788 175090632 /nfs/dbraw/zinc/09/06/32/175090632.db2.gz ITJKMCGNLRUOMF-UHFFFAOYSA-N 0 3 295.448 2.586 10 30 CFEEHN COc1cc(C#N)ccc1OCc1cc(C#CCN)cs1 ZINC000043689238 175096318 /nfs/dbraw/zinc/09/63/18/175096318.db2.gz UOKOVZJDTPSJIU-UHFFFAOYSA-N 0 3 298.367 2.518 10 30 CFEEHN C[C@H](Cc1cccs1)NCc1cccnc1C#N ZINC000071269990 176103562 /nfs/dbraw/zinc/10/35/62/176103562.db2.gz SRHFUZGDBLTEOT-LLVKDONJSA-N 0 3 257.362 2.736 10 30 CFEEHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000188480278 262299871 /nfs/dbraw/zinc/29/98/71/262299871.db2.gz DKPMJTHYXMSMPP-DZGCQCFKSA-N 0 3 252.402 2.531 10 30 CFEEHN COc1ccccc1C[C@H](C)N[C@@H]1CCC[C@@H]1C#N ZINC000061892294 262406195 /nfs/dbraw/zinc/40/61/95/262406195.db2.gz LUSQMQDNJKFSIP-NWANDNLSSA-N 0 3 258.365 2.908 10 30 CFEEHN C[C@H]1CN2CCCC[C@@H]2CN1c1cccc(F)c1C#N ZINC000083704238 300309431 /nfs/dbraw/zinc/30/94/31/300309431.db2.gz NSDRMWMFZZRLPX-QWHCGFSZSA-N 0 3 273.355 2.760 10 30 CFEEHN C=CCC1(C(=O)N[C@H](CC(C)C)CN(C)C)CCC1 ZINC000190415624 329396412 /nfs/dbraw/zinc/39/64/12/329396412.db2.gz WXGLXMLUJVNTFR-CQSZACIVSA-N 0 3 266.429 2.825 10 30 CFEEHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)s1 ZINC000424099941 330232971 /nfs/dbraw/zinc/23/29/71/330232971.db2.gz NFVVMMQFFHWGNJ-DTWKUNHWSA-N 0 3 285.800 2.600 10 30 CFEEHN C#CCNCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000045945274 330350081 /nfs/dbraw/zinc/35/00/81/330350081.db2.gz NLAASFQUUMOEMP-UHFFFAOYSA-N 0 3 281.355 2.997 10 30 CFEEHN N#C[C@@H]1CCC[C@H]1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000217456990 333121105 /nfs/dbraw/zinc/12/11/05/333121105.db2.gz LXRNXOKAPUWRQT-RCCFBDPRSA-N 0 3 283.419 2.933 10 30 CFEEHN COc1ccc2c(c1)C[C@H](N[C@H]1CCC[C@H]1C#N)CC2 ZINC000252700681 334385786 /nfs/dbraw/zinc/38/57/86/334385786.db2.gz AWZAZZVSLJYBJP-LXZKKBNFSA-N 0 3 270.376 2.834 10 30 CFEEHN C#C[C@@H](NC[C@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000382902884 336098485 /nfs/dbraw/zinc/09/84/85/336098485.db2.gz FUBTZJJVKIGIDC-KGLIPLIRSA-N 0 3 285.309 2.986 10 30 CFEEHN CC(C)CCC(=O)N[C@@H](C)c1cccc(C#CCN)c1 ZINC000049587096 519635876 /nfs/dbraw/zinc/63/58/76/519635876.db2.gz MJJXHSPPLULXEF-AWEZNQCLSA-N 0 3 272.392 2.610 10 30 CFEEHN CC[C@H](C/C(N)=N/O)N1CCC2(CCCC2)CC1 ZINC000062954257 522086348 /nfs/dbraw/zinc/08/63/48/522086348.db2.gz SMWYJRLAMXXSNS-GFCCVEGCSA-N 0 3 253.390 2.558 10 30 CFEEHN CC(C)C[C@H]1CSC(N[C@H](C)CN2CCCC2)=N1 ZINC000049185300 519417784 /nfs/dbraw/zinc/41/77/84/519417784.db2.gz CNEWSJVLWMNHAH-OLZOCXBDSA-N 0 3 269.458 2.578 10 30 CFEEHN CC(C)c1nccn1Cc1ccc(F)cc1C#CCN ZINC000049610137 519880290 /nfs/dbraw/zinc/88/02/90/519880290.db2.gz WCDCLAAANQNQBP-UHFFFAOYSA-N 0 3 271.339 2.504 10 30 CFEEHN CCCCCC(=O)N[C@H](C)c1ccc(C#CCN)cc1 ZINC000049586712 519935106 /nfs/dbraw/zinc/93/51/06/519935106.db2.gz DSXIXYXPOPZHIP-CQSZACIVSA-N 0 3 272.392 2.754 10 30 CFEEHN CCCCN(CC)Cc1cc(C#CCO)ccc1OC ZINC000049616441 520478938 /nfs/dbraw/zinc/47/89/38/520478938.db2.gz OYNLLXBIQHDERR-UHFFFAOYSA-N 0 3 275.392 2.661 10 30 CFEEHN CCCCSCCOc1ccc(C#CCN)cc1 ZINC000049611521 520956711 /nfs/dbraw/zinc/95/67/11/520956711.db2.gz LZAFMXQMWVLRLB-UHFFFAOYSA-N 0 3 263.406 2.909 10 30 CFEEHN CCC[C@H](C)C(=O)N[C@H](C)c1cccc(C#CCN)c1 ZINC000049587107 521004997 /nfs/dbraw/zinc/00/49/97/521004997.db2.gz TULQGULYFKPFAK-UONOGXRCSA-N 0 3 272.392 2.610 10 30 CFEEHN CCC(CC)C(=O)N[C@@H](C)c1cccc(C#CCN)c1 ZINC000049587226 521497382 /nfs/dbraw/zinc/49/73/82/521497382.db2.gz UQSRRCJQQZSQDF-ZDUSSCGKSA-N 0 3 272.392 2.610 10 30 CFEEHN CCCN(CCC)Cc1ccc(C#CCO)cc1F ZINC000049616302 521649332 /nfs/dbraw/zinc/64/93/32/521649332.db2.gz JQBYAOASNQCOBF-UHFFFAOYSA-N 0 3 263.356 2.792 10 30 CFEEHN CCCN(Cc1ccc(C#CCCO)cc1F)C1CC1 ZINC000049617681 521682071 /nfs/dbraw/zinc/68/20/71/521682071.db2.gz DELLNQHRVDAZBC-UHFFFAOYSA-N 0 3 275.367 2.934 10 30 CFEEHN CC[C@H](C)SCCOc1cccc(C#CCN)c1 ZINC000049611215 521783477 /nfs/dbraw/zinc/78/34/77/521783477.db2.gz YJJFWTCKLJLKSZ-ZDUSSCGKSA-N 0 3 263.406 2.907 10 30 CFEEHN CCc1nc(NC(=O)c2ccc(C#CCN)cc2)sc1C ZINC000049189198 522403222 /nfs/dbraw/zinc/40/32/22/522403222.db2.gz IOFYYNSKDPFGHM-UHFFFAOYSA-N 0 3 299.399 2.576 10 30 CFEEHN CN(Cc1ccccc1)Cc1ccc(C#CCN)cc1F ZINC000049608525 523346542 /nfs/dbraw/zinc/34/65/42/523346542.db2.gz XIWDHPOCLARMPG-UHFFFAOYSA-N 0 3 282.362 2.768 10 30 CFEEHN COc1ccc(C#CCCO)cc1CN(C)C1CCCC1 ZINC000049617529 523510335 /nfs/dbraw/zinc/51/03/35/523510335.db2.gz DMHSMENXUCYITA-UHFFFAOYSA-N 0 3 287.403 2.804 10 30 CFEEHN COc1ccc(C#CCN)cc1COc1cccc(C)c1 ZINC000049610496 523516173 /nfs/dbraw/zinc/51/61/73/523516173.db2.gz BSVIDHCRHNXTOZ-UHFFFAOYSA-N 0 3 281.355 2.893 10 30 CFEEHN COc1ccc(CSc2ccccn2)cc1C#CCN ZINC000049611381 524126967 /nfs/dbraw/zinc/12/69/67/524126967.db2.gz JFGTWVUJBJOKBR-UHFFFAOYSA-N 0 3 284.384 2.693 10 30 CFEEHN CSC[C@H](C)CNCc1cc(C#N)ccc1F ZINC000069447429 525681628 /nfs/dbraw/zinc/68/16/28/525681628.db2.gz NCVHSECUGJOZNL-SNVBAGLBSA-N 0 3 252.358 2.786 10 30 CFEEHN C[C@H]1CCCC[C@H]1OCCOc1ccc(C#CCN)cc1 ZINC000049610673 526263099 /nfs/dbraw/zinc/26/30/99/526263099.db2.gz GXFSSWNBYCIKBH-MAUKXSAKSA-N 0 3 287.403 2.971 10 30 CFEEHN N#CC(c1cccs1)S(=O)(=O)c1ccccc1 ZINC000238855704 526511202 /nfs/dbraw/zinc/51/12/02/526511202.db2.gz SSODAJBDIKVJRZ-GFCCVEGCSA-N 0 3 263.343 2.787 10 30 CFEEHN N#Cc1cc(O[C@@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000061815474 526574532 /nfs/dbraw/zinc/57/45/32/526574532.db2.gz WARZXPJUUNFUCQ-QGZVFWFLSA-N 0 3 279.343 2.607 10 30 CFEEHN NCC#Cc1ccc(Cl)c(NC(=O)c2ccsc2)c1 ZINC000061692004 527149615 /nfs/dbraw/zinc/14/96/15/527149615.db2.gz ADXSJCBNVARTLA-UHFFFAOYSA-N 0 3 290.775 2.964 10 30 CFEEHN NCC#Cc1ccc(CSc2nccs2)cc1 ZINC000049612859 527149673 /nfs/dbraw/zinc/14/96/73/527149673.db2.gz HFDYXSHPPSOBIZ-UHFFFAOYSA-N 0 3 260.387 2.746 10 30 CFEEHN NCC#Cc1cccc(CNC(=O)c2ccc(Cl)cc2)c1 ZINC000049586506 527151276 /nfs/dbraw/zinc/15/12/76/527151276.db2.gz SYVGZRXKFPQVNE-UHFFFAOYSA-N 0 3 298.773 2.580 10 30 CFEEHN NCC#Cc1ccccc1COc1ccc(F)cc1 ZINC000049610514 527154285 /nfs/dbraw/zinc/15/42/85/527154285.db2.gz GFEGIVBWZXWSRU-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN OCCC#Cc1cc(CN2CCCCC2)ccc1F ZINC000049616761 527529530 /nfs/dbraw/zinc/52/95/30/527529530.db2.gz NAJHCDUFMRVBOF-UHFFFAOYSA-N 0 3 261.340 2.546 10 30 CFEEHN NCC#Cc1ccc(Br)c(Cl)c1F ZINC000236196292 348232078 /nfs/dbraw/zinc/23/20/78/348232078.db2.gz SPDVSILCAMQGPU-UHFFFAOYSA-N 0 3 262.509 2.552 10 30 CFEEHN CN(CCN[C@H]1CCCC[C@H]1C#N)Cc1ccccc1 ZINC000386725816 348536120 /nfs/dbraw/zinc/53/61/20/348536120.db2.gz TZVFFASMWNGNKY-IRXDYDNUSA-N 0 3 271.408 2.790 10 30 CFEEHN C=CCOc1ccccc1CNC(=O)[C@H](CCC)N(C)C ZINC000155017721 188176008 /nfs/dbraw/zinc/17/60/08/188176008.db2.gz KJPBKMAVOWJKNR-HNNXBMFYSA-N 0 3 290.407 2.598 10 30 CFEEHN Cn1cc([C@H]2CCCN2CCCC(C)(C)C#N)cn1 ZINC000174845992 261199270 /nfs/dbraw/zinc/19/92/70/261199270.db2.gz QODFNAYZGBGBRO-CQSZACIVSA-N 0 3 260.385 2.887 10 30 CFEEHN C#CCNCc1cccc(OCc2ccccc2)c1 ZINC000045945287 373038881 /nfs/dbraw/zinc/03/88/81/373038881.db2.gz BTAMJYDYUBWKGM-UHFFFAOYSA-N 0 3 251.329 2.988 10 30 CFEEHN C#CCNCc1ccc(OC(C)C)c(Br)c1 ZINC000045945396 373039365 /nfs/dbraw/zinc/03/93/65/373039365.db2.gz NOMODKULVXODMU-UHFFFAOYSA-N 0 3 282.181 2.959 10 30 CFEEHN CN(C)C[C@@H](NC(=O)c1sccc1C#N)c1ccccc1 ZINC000052029280 373430246 /nfs/dbraw/zinc/43/02/46/373430246.db2.gz FNRYAPQZXWRPEW-CQSZACIVSA-N 0 3 299.399 2.652 10 30 CFEEHN C=C(Cl)CN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000151115212 378296376 /nfs/dbraw/zinc/29/63/76/378296376.db2.gz OVPFNCMXGRKJKH-ZDUSSCGKSA-N 0 3 265.788 2.876 10 30 CFEEHN Cc1cc(N2CCN(CCC(C)C)CC2)c(C#N)c(C)n1 ZINC000301758670 382190790 /nfs/dbraw/zinc/19/07/90/382190790.db2.gz FHNHRAVKASDIST-UHFFFAOYSA-N 0 3 286.423 2.738 10 30 CFEEHN N#Cc1cccc(CN2C[C@H](CO)[C@H](c3ccsc3)C2)c1 ZINC000188142977 382355270 /nfs/dbraw/zinc/35/52/70/382355270.db2.gz KDHNOJRDOAWOSY-SJORKVTESA-N 0 3 298.411 2.828 10 30 CFEEHN C=CCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CCC1 ZINC000249713149 383357625 /nfs/dbraw/zinc/35/76/25/383357625.db2.gz ZIOFHNZLPWPPRL-ZIAGYGMSSA-N 0 3 264.413 2.578 10 30 CFEEHN Cc1cc(C#N)nc(N[C@@H](C)CN(C)Cc2ccccc2)n1 ZINC000286508209 385637035 /nfs/dbraw/zinc/63/70/35/385637035.db2.gz NJSGHLRDDZINSW-AWEZNQCLSA-N 0 3 295.390 2.589 10 30 CFEEHN C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000183137708 393517745 /nfs/dbraw/zinc/51/77/45/393517745.db2.gz CPXWOSSPJYXRMV-DOMZBBRYSA-N 0 3 263.768 2.849 10 30 CFEEHN CC[C@@H]1CN2CCC[C@H]2CN1c1snc(Cl)c1C#N ZINC000271323570 287231883 /nfs/dbraw/zinc/23/18/83/287231883.db2.gz KNPSKYQGIYVELA-ZJUUUORDSA-N 0 3 296.827 2.731 10 30 CFEEHN CN(C)CCN[C@@H](C#N)c1ccc(Cl)cc1Cl ZINC000020177045 171043155 /nfs/dbraw/zinc/04/31/55/171043155.db2.gz PALPRHPRUSPAOU-LBPRGKRZSA-N 0 3 272.179 2.709 10 30 CFEEHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(CC)n1C ZINC000661118374 413768736 /nfs/dbraw/zinc/76/87/36/413768736.db2.gz ZQDCAXJSVHIZAC-STQMWFEESA-N 0 3 262.401 2.602 10 30 CFEEHN CC(C)C[C@@H](N)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037393481 173173856 /nfs/dbraw/zinc/17/38/56/173173856.db2.gz VQJSIJLKDAAQAT-GFCCVEGCSA-N 0 3 265.744 2.524 10 30 CFEEHN CC[C@H](C)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000040415535 174255686 /nfs/dbraw/zinc/25/56/86/174255686.db2.gz CLVGHASWWFIMBE-QMMMGPOBSA-N 0 3 265.382 2.563 10 30 CFEEHN Cc1ccc([C@@H](CN)Oc2cccc(F)c2C#N)o1 ZINC000043366965 175027038 /nfs/dbraw/zinc/02/70/38/175027038.db2.gz VLVKMYWEONQXJD-CQSZACIVSA-N 0 3 260.268 2.678 10 30 CFEEHN C#CCOc1ccc2c(c1)OC(C)(C)C[C@@H]2NCC ZINC000043460417 175050819 /nfs/dbraw/zinc/05/08/19/175050819.db2.gz SSGMBOSDKGXWEH-AWEZNQCLSA-N 0 3 259.349 2.910 10 30 CFEEHN C#CCCOc1ccc2c(c1)OC(C)(C)C[C@@H]2NC ZINC000043460290 175051102 /nfs/dbraw/zinc/05/11/02/175051102.db2.gz PEOWFAWJEYKNBF-AWEZNQCLSA-N 0 3 259.349 2.910 10 30 CFEEHN CCCNCc1cccc(OCC)c1O[C@@H](C)C#N ZINC000043513521 175061648 /nfs/dbraw/zinc/06/16/48/175061648.db2.gz UMFMXEQRBOUOGI-LBPRGKRZSA-N 0 3 262.353 2.876 10 30 CFEEHN CC[C@@H](C#N)Oc1c(Br)cccc1CN ZINC000043539004 175064078 /nfs/dbraw/zinc/06/40/78/175064078.db2.gz DZGNURXJHGEQIB-VIFPVBQESA-N 0 3 269.142 2.589 10 30 CFEEHN CC[C@H](C#N)Oc1ccc([N+](=O)[O-])cc1CNC(C)C ZINC000043538913 175064105 /nfs/dbraw/zinc/06/41/05/175064105.db2.gz BIBXXZPLUAEDTB-CYBMUJFWSA-N 0 3 277.324 2.774 10 30 CFEEHN C[C@@H](N(C)C(=O)c1ccc(C#CCN)c(F)c1)C(C)(C)C ZINC000043583167 175070640 /nfs/dbraw/zinc/07/06/40/175070640.db2.gz LRDZETOCTFITMO-GFCCVEGCSA-N 0 3 290.382 2.643 10 30 CFEEHN CCOC(=O)C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000043618096 175080388 /nfs/dbraw/zinc/08/03/88/175080388.db2.gz ADHBZJDBALFDSO-RYUDHWBXSA-N 0 3 260.337 2.551 10 30 CFEEHN CCOC(=O)C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000043618098 175080512 /nfs/dbraw/zinc/08/05/12/175080512.db2.gz ADHBZJDBALFDSO-VXGBXAGGSA-N 0 3 260.337 2.551 10 30 CFEEHN CN(Cc1sccc1C#CCN)Cc1ccc(F)cc1 ZINC000043684053 175092162 /nfs/dbraw/zinc/09/21/62/175092162.db2.gz YHYXUVGMELWPLC-UHFFFAOYSA-N 0 3 288.391 2.829 10 30 CFEEHN COc1ccccc1OCc1ccc(C#CCN)s1 ZINC000043684862 175093750 /nfs/dbraw/zinc/09/37/50/175093750.db2.gz SOMIEIYDHIRCEZ-UHFFFAOYSA-N 0 3 273.357 2.646 10 30 CFEEHN COc1ccc(COCc2ccc(C#CCN)s2)cc1 ZINC000043685137 175094010 /nfs/dbraw/zinc/09/40/10/175094010.db2.gz PVHPRXCQMZKZOG-UHFFFAOYSA-N 0 3 287.384 2.784 10 30 CFEEHN NCC#Cc1csc(CN2CCc3sccc3C2)c1 ZINC000043688805 175096086 /nfs/dbraw/zinc/09/60/86/175096086.db2.gz LAKMWGMOWKBPCF-UHFFFAOYSA-N 0 3 288.441 2.678 10 30 CFEEHN NCC#Cc1csc(COc2cccc(F)c2)c1 ZINC000043689265 175096214 /nfs/dbraw/zinc/09/62/14/175096214.db2.gz ZHXUXWVZUGEAQW-UHFFFAOYSA-N 0 3 261.321 2.776 10 30 CFEEHN CC(C)C[C@H](CN(C)C)Nc1nc2c(cc1C#N)CCC2 ZINC000044419867 175173696 /nfs/dbraw/zinc/17/36/96/175173696.db2.gz IMTIHHYLDULEGJ-OAHLLOKOSA-N 0 3 286.423 2.830 10 30 CFEEHN CCCNCC(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000044648199 175223586 /nfs/dbraw/zinc/22/35/86/175223586.db2.gz PDGXBHDDMFHCBQ-UHFFFAOYSA-N 0 3 285.269 2.515 10 30 CFEEHN N#CC(Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000044809253 175257702 /nfs/dbraw/zinc/25/77/02/175257702.db2.gz HOHQBNGWCUAPQG-MRXNPFEDSA-N 0 3 264.328 2.685 10 30 CFEEHN CN(Cc1ccc(C#CCO)cc1F)CC(C)(C)C ZINC000045086823 175304149 /nfs/dbraw/zinc/30/41/49/175304149.db2.gz ZHJPSJPEJHTAAC-UHFFFAOYSA-N 0 3 263.356 2.647 10 30 CFEEHN C=C(C)COCCN[C@H](C)c1c(C)nn(CC)c1C ZINC000090450773 260259222 /nfs/dbraw/zinc/25/92/22/260259222.db2.gz GGIDUNGFAPALAP-GFCCVEGCSA-N 0 3 265.401 2.763 10 30 CFEEHN C[C@H](c1ccc(C#N)cc1)N1CCN2CCCC[C@H]2C1 ZINC000248356514 278306047 /nfs/dbraw/zinc/30/60/47/278306047.db2.gz OKPGMVBJMANTSJ-PBHICJAKSA-N 0 3 269.392 2.789 10 30 CFEEHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1 ZINC000333948703 303159638 /nfs/dbraw/zinc/15/96/38/303159638.db2.gz WOKDRLZYBRACTF-VUNQQRPYSA-N 0 3 297.402 2.678 10 30 CFEEHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1Cl ZINC000424075767 330220875 /nfs/dbraw/zinc/22/08/75/330220875.db2.gz KJDFTNRAQSXMQK-ZWNOBZJWSA-N 0 3 279.771 2.538 10 30 CFEEHN CCCC(=O)N[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000174840640 333008528 /nfs/dbraw/zinc/00/85/28/333008528.db2.gz MCWXWRLHDMMMSD-AWEZNQCLSA-N 0 3 279.428 2.697 10 30 CFEEHN C=CCCCCCN1CCN(CCOC)[C@H](CC)C1 ZINC000193336437 333248244 /nfs/dbraw/zinc/24/82/44/333248244.db2.gz UAVPLVZZJTYQFZ-MRXNPFEDSA-N 0 3 268.445 2.775 10 30 CFEEHN C[C@@H](NC[C@H](C)C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000251074375 334355788 /nfs/dbraw/zinc/35/57/88/334355788.db2.gz GCZPHLIPVZLCOU-MCIONIFRSA-N 0 3 295.427 2.771 10 30 CFEEHN CC(C)CN(C)Cc1ccc(C#CCCO)cc1F ZINC000049617755 519709147 /nfs/dbraw/zinc/70/91/47/519709147.db2.gz FMQFYMVQFWHSEW-UHFFFAOYSA-N 0 3 263.356 2.647 10 30 CFEEHN CCC[C@H](C)C(=O)N[C@@H](C)c1cccc(C#CCN)c1 ZINC000049587105 521004531 /nfs/dbraw/zinc/00/45/31/521004531.db2.gz TULQGULYFKPFAK-KBPBESRZSA-N 0 3 272.392 2.610 10 30 CFEEHN C#CCN1CCC(Nc2ccc(OC)c(C)c2)CC1 ZINC000049528582 518269932 /nfs/dbraw/zinc/26/99/32/518269932.db2.gz PPIBYXUXMASXIS-UHFFFAOYSA-N 0 3 258.365 2.513 10 30 CFEEHN C#CCOc1ccc(Br)cc1CN[C@@H]1C[C@@H]1C ZINC000052273751 518321649 /nfs/dbraw/zinc/32/16/49/518321649.db2.gz GSNZZJKLBIKMGZ-GXFFZTMASA-N 0 3 294.192 2.959 10 30 CFEEHN C=C(Cl)COc1ccccc1CNCCOC ZINC000062729602 518651390 /nfs/dbraw/zinc/65/13/90/518651390.db2.gz CQXBDJLDZBBAAI-UHFFFAOYSA-N 0 3 255.745 2.554 10 30 CFEEHN CC(C)(C)SCCOc1cccc(C#CCN)c1 ZINC000049611229 518911772 /nfs/dbraw/zinc/91/17/72/518911772.db2.gz WDJDBKTWCRCDSM-UHFFFAOYSA-N 0 3 263.406 2.907 10 30 CFEEHN CC(C)CC[C@@H](C)NC(=O)c1cccc(C#CCN)c1 ZINC000069235780 519681759 /nfs/dbraw/zinc/68/17/59/519681759.db2.gz KVEVOFBPVBCXEX-CQSZACIVSA-N 0 3 272.392 2.551 10 30 CFEEHN CC(C)CC[C@H](C)NC(=O)c1ccc(C#CCN)cc1F ZINC000069235785 519690911 /nfs/dbraw/zinc/69/09/11/519690911.db2.gz KCKFFBSCAPOJNS-ZDUSSCGKSA-N 0 3 290.382 2.690 10 30 CFEEHN CC(C)CC[C@H](C)NC(=O)c1ccc(C#CCN)c(F)c1 ZINC000069235777 519691073 /nfs/dbraw/zinc/69/10/73/519691073.db2.gz QCDUARLDEANPGV-ZDUSSCGKSA-N 0 3 290.382 2.690 10 30 CFEEHN CC(C)OCCOc1ccc2ccccc2c1C#CCN ZINC000049260995 519768817 /nfs/dbraw/zinc/76/88/17/519768817.db2.gz VKKJAVNOJDMYJG-UHFFFAOYSA-N 0 3 283.371 2.954 10 30 CFEEHN CCCN(Cc1ccc(F)cc1C#CCCO)C1CC1 ZINC000049617703 521684130 /nfs/dbraw/zinc/68/41/30/521684130.db2.gz ODBKQVRCXITTQS-UHFFFAOYSA-N 0 3 275.367 2.934 10 30 CFEEHN CC[C@@H](C)SCCOc1cccc(C#CCN)c1 ZINC000049611214 522273362 /nfs/dbraw/zinc/27/33/62/522273362.db2.gz YJJFWTCKLJLKSZ-CYBMUJFWSA-N 0 3 263.406 2.907 10 30 CFEEHN CC[C@H]1CCCCN1Cc1ccc(F)cc1C#CCO ZINC000049617505 523027772 /nfs/dbraw/zinc/02/77/72/523027772.db2.gz IVDHOMRLXHJQLV-KRWDZBQOSA-N 0 3 275.367 2.934 10 30 CFEEHN CC[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1C#CCN ZINC000049124755 523041725 /nfs/dbraw/zinc/04/17/25/523041725.db2.gz CAVDVQKHPMCLOH-YOEHRIQHSA-N 0 3 284.403 2.695 10 30 CFEEHN CN(Cc1ccccc1F)Cc1ccccc1C#CCN ZINC000049609729 523370939 /nfs/dbraw/zinc/37/09/39/523370939.db2.gz DITNHKUOHSASQA-UHFFFAOYSA-N 0 3 282.362 2.768 10 30 CFEEHN CN(Cc1ccsc1)Cc1cccc(C#CCN)c1 ZINC000049609106 523484292 /nfs/dbraw/zinc/48/42/92/523484292.db2.gz GNQMTMPZOMQMIT-UHFFFAOYSA-N 0 3 270.401 2.690 10 30 CFEEHN COc1ccc(C#CCN)cc1COc1ccc(F)cc1 ZINC000049610516 523517621 /nfs/dbraw/zinc/51/76/21/523517621.db2.gz MNSPCMPBVQAKRZ-UHFFFAOYSA-N 0 3 285.318 2.724 10 30 CFEEHN CC[C@H](C)N(C)Cc1ccc(C#CCCO)cc1F ZINC000049617187 523922561 /nfs/dbraw/zinc/92/25/61/523922561.db2.gz PUJQRDDONIMHAV-ZDUSSCGKSA-N 0 3 263.356 2.790 10 30 CFEEHN COc1ccc(CN2CCC(C)CC2)cc1C#CCCO ZINC000049615526 524023469 /nfs/dbraw/zinc/02/34/69/524023469.db2.gz VDLFXCYQJPSYQI-UHFFFAOYSA-N 0 3 287.403 2.661 10 30 CFEEHN C[C@@H]1CCC[C@@H](OCCOc2ccc(C#CCN)cc2)C1 ZINC000049610976 524317979 /nfs/dbraw/zinc/31/79/79/524317979.db2.gz BIHYTTAVCXKOCC-CRAIPNDOSA-N 0 3 287.403 2.971 10 30 CFEEHN COc1ccc(OCc2ccc(C#CCN)cc2)cc1 ZINC000049610570 524975269 /nfs/dbraw/zinc/97/52/69/524975269.db2.gz XVEMJKKHHPFSKD-UHFFFAOYSA-N 0 3 267.328 2.584 10 30 CFEEHN C[C@H]1Cc2ccccc2N1Cc1cccc(C#CCN)c1 ZINC000049608557 524993752 /nfs/dbraw/zinc/99/37/52/524993752.db2.gz ZHENXHAQKCOMQM-HNNXBMFYSA-N 0 3 276.383 2.948 10 30 CFEEHN Cc1cc(N[C@@H](C)CN2CCCCC2)c(C#N)c(C)n1 ZINC000156558694 525290409 /nfs/dbraw/zinc/29/04/09/525290409.db2.gz RIFZQUZBGYMFNB-ZDUSSCGKSA-N 0 3 272.396 2.856 10 30 CFEEHN Cc1cnc(SCc2ccc(F)c(C#CCN)c2)nc1 ZINC000049612971 526102113 /nfs/dbraw/zinc/10/21/13/526102113.db2.gz IRCSOGNWKMIDFQ-UHFFFAOYSA-N 0 3 287.363 2.527 10 30 CFEEHN Cc1nn(Cc2ccc(F)c(C#CCN)c2)c(C)c1Cl ZINC000050587893 526291130 /nfs/dbraw/zinc/29/11/30/526291130.db2.gz IBZHJCLXECAEHL-UHFFFAOYSA-N 0 3 291.757 2.651 10 30 CFEEHN N#CC(C(=O)C1CCOCC1)c1ccccc1Cl ZINC000061672491 526504245 /nfs/dbraw/zinc/50/42/45/526504245.db2.gz CARKAPLLXCSCQT-LBPRGKRZSA-N 0 3 263.724 2.943 10 30 CFEEHN N#Cc1ccccc1OCc1ccc(C#CCN)cc1F ZINC000049610825 526746922 /nfs/dbraw/zinc/74/69/22/526746922.db2.gz CYSLPYFUPNCERF-UHFFFAOYSA-N 0 3 280.302 2.587 10 30 CFEEHN NN=C(NC1CCCCC1)C1(c2ccccc2)CC1 ZINC000061618627 526816892 /nfs/dbraw/zinc/81/68/92/526816892.db2.gz WNSKPYRESGQEBE-UHFFFAOYSA-N 0 3 257.381 2.913 10 30 CFEEHN Cc1occc1CN(C)Cc1ccc(F)cc1C#CCN ZINC000049609921 526822462 /nfs/dbraw/zinc/82/24/62/526822462.db2.gz KNLCVVAYFLAFER-UHFFFAOYSA-N 0 3 286.350 2.669 10 30 CFEEHN NCC#Cc1ccccc1CN1CCc2sccc2C1 ZINC000049608507 527152850 /nfs/dbraw/zinc/15/28/50/527152850.db2.gz DMSRNKZRUGDIRB-UHFFFAOYSA-N 0 3 282.412 2.617 10 30 CFEEHN NCC#Cc1ccccc1CN1CCc2ccccc21 ZINC000049608616 527153531 /nfs/dbraw/zinc/15/35/31/527153531.db2.gz CMCBDEGWUJUXTB-UHFFFAOYSA-N 0 3 262.356 2.560 10 30 CFEEHN NCC#Cc1ccccc1COc1ccc(F)cc1F ZINC000049610385 527154814 /nfs/dbraw/zinc/15/48/14/527154814.db2.gz QYJUYDVYQWXTBC-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN OCC#Cc1cccc(CN2CCc3ccccc3C2)c1 ZINC000049616476 527519243 /nfs/dbraw/zinc/51/92/43/527519243.db2.gz NARZIFGBOZFTKN-UHFFFAOYSA-N 0 3 277.367 2.589 10 30 CFEEHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000042335618 620659838 /nfs/dbraw/zinc/65/98/38/620659838.db2.gz OYISAYSYPAEDKQ-UONOGXRCSA-N 0 3 272.392 2.599 10 30 CFEEHN C=C(Br)CN1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000227633021 623114837 /nfs/dbraw/zinc/11/48/37/623114837.db2.gz FXHKPWIJJJMFLM-STQMWFEESA-N 0 3 287.245 2.844 10 30 CFEEHN CC(C)(C)OC(=O)N1CCC(N[C@H]2CCC[C@H]2C#N)CC1 ZINC000061891993 623240572 /nfs/dbraw/zinc/24/05/72/623240572.db2.gz WLXIAOVHEKVFNB-JSGCOSHPSA-N 0 3 293.411 2.668 10 30 CFEEHN C#CCCNCc1cc(Br)ccc1F ZINC000082496970 625737178 /nfs/dbraw/zinc/73/71/78/625737178.db2.gz HVEKGDZOEXMSSL-UHFFFAOYSA-N 0 3 256.118 2.701 10 30 CFEEHN C=C(C)CN1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000101731443 625871214 /nfs/dbraw/zinc/87/12/14/625871214.db2.gz LGHHYCXNBKYXND-ZDUSSCGKSA-N 0 3 268.401 2.942 10 30 CFEEHN N#Cc1cccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000127949275 187342386 /nfs/dbraw/zinc/34/23/86/187342386.db2.gz FCNANJVGYKBAPO-SJORKVTESA-N 0 3 270.376 2.685 10 30 CFEEHN CCc1ccc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000123182234 347818515 /nfs/dbraw/zinc/81/85/15/347818515.db2.gz MGJRUMXDNBWJKN-ACJLOTCBSA-N 0 3 299.418 2.708 10 30 CFEEHN C=C(Br)COc1ccc(CNC2CC2)nc1 ZINC000086791422 179336261 /nfs/dbraw/zinc/33/62/61/179336261.db2.gz ZNJLXMOPDHAVCD-UHFFFAOYSA-N 0 3 283.169 2.621 10 30 CFEEHN CC(C#N)C(=O)c1cccc(Br)c1F ZINC000235421423 348227156 /nfs/dbraw/zinc/22/71/56/348227156.db2.gz QEGRBXOUINIIMV-ZCFIWIBFSA-N 0 3 256.074 2.931 10 30 CFEEHN CC[C@@H](N)C#Cc1cc(Br)ccc1F ZINC000229905279 348203643 /nfs/dbraw/zinc/20/36/43/348203643.db2.gz REABLQGHXBDTFX-SNVBAGLBSA-N 0 3 256.118 2.677 10 30 CFEEHN C=C[C@H](C)CC1([C@H](N)Cc2ccccc2)OCCO1 ZINC000584614832 348690689 /nfs/dbraw/zinc/69/06/89/348690689.db2.gz LCEOWEGJBRZFRJ-DZGCQCFKSA-N 0 3 261.365 2.512 10 30 CFEEHN C=CCN1CCC(c2cccc(O)c2)([C@H](O)CC)CC1 ZINC000584637104 348699040 /nfs/dbraw/zinc/69/90/40/348699040.db2.gz UHLLKWZHQAZXAS-MRXNPFEDSA-N 0 3 275.392 2.683 10 30 CFEEHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594428332 349418941 /nfs/dbraw/zinc/41/89/41/349418941.db2.gz YECPYVPNKXSZDZ-FZMZJTMJSA-N 0 3 293.798 2.928 10 30 CFEEHN CCc1nccn1[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000122876709 187057343 /nfs/dbraw/zinc/05/73/43/187057343.db2.gz SWXQGMPXOLYWIH-ZDUSSCGKSA-N 0 3 284.363 2.747 10 30 CFEEHN CCN1CCC[C@@H]1CN(C)Cc1cc(C#N)cs1 ZINC000123444929 187091984 /nfs/dbraw/zinc/09/19/84/187091984.db2.gz MGAXBEBDZBNZNX-CYBMUJFWSA-N 0 3 263.410 2.536 10 30 CFEEHN CC(C)(C)N1CCOC[C@@H](c2cccc(C#N)c2)C1 ZINC000616598730 352379694 /nfs/dbraw/zinc/37/96/94/352379694.db2.gz QIPXKCGJYAHPBS-HNNXBMFYSA-N 0 3 258.365 2.773 10 30 CFEEHN N#Cc1cccc([C@@H]2CNCCN2Cc2ccccc2)c1 ZINC000616636807 352393473 /nfs/dbraw/zinc/39/34/73/352393473.db2.gz ZIUNVTQFSDWZIX-SFHVURJKSA-N 0 3 277.371 2.705 10 30 CFEEHN N#Cc1ccc([C@H]2CN(Cc3ccccc3)CCN2)cc1 ZINC000616633091 352394177 /nfs/dbraw/zinc/39/41/77/352394177.db2.gz HXHNDDFEAVEKEL-GOSISDBHSA-N 0 3 277.371 2.705 10 30 CFEEHN C=C(Br)CN1CCC[C@@H]1Cn1ccnc1C ZINC000178303274 189104455 /nfs/dbraw/zinc/10/44/55/189104455.db2.gz VNRVDSYKPCBQOY-GFCCVEGCSA-N 0 3 284.201 2.565 10 30 CFEEHN Cc1nccn1C[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000178307614 189104633 /nfs/dbraw/zinc/10/46/33/189104633.db2.gz KQJBSEBBRBKRME-INIZCTEOSA-N 0 3 298.365 2.867 10 30 CFEEHN CC(C#N)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000044825986 373010523 /nfs/dbraw/zinc/01/05/23/373010523.db2.gz IGSWWTVAYOVCAP-DTWKUNHWSA-N 0 3 281.153 2.786 10 30 CFEEHN C#CCOc1ccc2ccccc2c1CNCCN(C)C ZINC000045946464 373038784 /nfs/dbraw/zinc/03/87/84/373038784.db2.gz BAAVFXNOKZZLSC-UHFFFAOYSA-N 0 3 282.387 2.503 10 30 CFEEHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000171699611 379377484 /nfs/dbraw/zinc/37/74/84/379377484.db2.gz XMEZNTGMRSYHAD-LBPRGKRZSA-N 0 3 293.436 2.759 10 30 CFEEHN C=CCCC[C@H](C)NC(=O)N(C)C[C@H]1CCCN1CC ZINC000181374313 380782401 /nfs/dbraw/zinc/78/24/01/380782401.db2.gz YPOBUDUCWLUXMV-LSDHHAIUSA-N 0 3 281.444 2.857 10 30 CFEEHN C#CCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000186008631 381800538 /nfs/dbraw/zinc/80/05/38/381800538.db2.gz SQPIRAVGDNVRRS-HNNXBMFYSA-N 0 3 286.419 2.673 10 30 CFEEHN CC[C@@](C)(N)C#Cc1sccc1Br ZINC000307603078 382468506 /nfs/dbraw/zinc/46/85/06/382468506.db2.gz YMXMAVZYIACJMZ-SNVBAGLBSA-N 0 3 258.184 2.990 10 30 CFEEHN Cc1cc(C#N)ccc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000186260941 393543299 /nfs/dbraw/zinc/54/32/99/393543299.db2.gz WKKUXCRZBLZHSP-SFHVURJKSA-N 0 3 293.370 2.915 10 30 CFEEHN C[C@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000183130879 393517062 /nfs/dbraw/zinc/51/70/62/393517062.db2.gz OAUWRYGJCSVRMS-WFASDCNBSA-N 0 3 263.768 2.849 10 30 CFEEHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cccs1 ZINC000192588157 393626400 /nfs/dbraw/zinc/62/64/00/393626400.db2.gz MNFWVFPYJDZUBR-OLZOCXBDSA-N 0 3 278.421 2.988 10 30 CFEEHN CCC(CC)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000035208054 172053616 /nfs/dbraw/zinc/05/36/16/172053616.db2.gz AGMVDELCEBEHQJ-UHFFFAOYSA-N 0 3 259.353 2.617 10 30 CFEEHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(C)n1CC ZINC000661114847 413766894 /nfs/dbraw/zinc/76/68/94/413766894.db2.gz NHCLCFLSIJWEJL-KGLIPLIRSA-N 0 3 262.401 2.831 10 30 CFEEHN C[C@H](N(C)C(=O)c1ccccc1C#CCN)C(C)(C)C ZINC000042797748 174881809 /nfs/dbraw/zinc/88/18/09/174881809.db2.gz GVYFMLMZBFIGRM-ZDUSSCGKSA-N 0 3 272.392 2.503 10 30 CFEEHN Cc1c(F)cccc1NC(=O)c1ccc(C#CCN)cc1 ZINC000043322870 175006589 /nfs/dbraw/zinc/00/65/89/175006589.db2.gz TVNVVCWHUGJIIU-UHFFFAOYSA-N 0 3 282.318 2.697 10 30 CFEEHN CC1(C)C[C@@H](N)c2ccc(OCCCC#N)cc2O1 ZINC000043460127 175051168 /nfs/dbraw/zinc/05/11/68/175051168.db2.gz ONNINXUDCUGROM-CYBMUJFWSA-N 0 3 260.337 2.930 10 30 CFEEHN C[C@@H](C#N)Oc1ccc(Cl)cc1CNC1CC1 ZINC000043513457 175061622 /nfs/dbraw/zinc/06/16/22/175061622.db2.gz KEICKXJDQCPXOD-VIFPVBQESA-N 0 3 250.729 2.883 10 30 CFEEHN CC[C@@H](C#N)Oc1c(CNC2CC2)cccc1OC ZINC000043538890 175063740 /nfs/dbraw/zinc/06/37/40/175063740.db2.gz DKAOPKVRJKXONB-ZDUSSCGKSA-N 0 3 260.337 2.628 10 30 CFEEHN CCCNCc1cc([N+](=O)[O-])ccc1O[C@@H](C#N)CC ZINC000043538911 175063928 /nfs/dbraw/zinc/06/39/28/175063928.db2.gz JZPSBDXTWWDPMH-CYBMUJFWSA-N 0 3 277.324 2.775 10 30 CFEEHN CCCOc1ccc(CNC)c(O[C@H](C#N)CC)c1 ZINC000043538894 175064011 /nfs/dbraw/zinc/06/40/11/175064011.db2.gz MQYFBEFVZQJMHH-ZDUSSCGKSA-N 0 3 262.353 2.876 10 30 CFEEHN CCCCN(C(=O)c1ccc(C#CCN)c(F)c1)C1CC1 ZINC000043583037 175069865 /nfs/dbraw/zinc/06/98/65/175069865.db2.gz YLEGKLRYNQAAHH-UHFFFAOYSA-N 0 3 288.366 2.541 10 30 CFEEHN CC1CCN(Cc2ccc(C#CCCO)s2)CC1 ZINC000043678785 175089894 /nfs/dbraw/zinc/08/98/94/175089894.db2.gz XAYINEBRXUAGFG-UHFFFAOYSA-N 0 3 263.406 2.714 10 30 CFEEHN CC[C@@H](C)N(CCOC)Cc1sccc1C#CCCO ZINC000043681986 175090927 /nfs/dbraw/zinc/09/09/27/175090927.db2.gz OLZDBHSKQVQBMB-CQSZACIVSA-N 0 3 295.448 2.729 10 30 CFEEHN NCC#Cc1ccc(COc2ccccc2[N+](=O)[O-])s1 ZINC000043685345 175094214 /nfs/dbraw/zinc/09/42/14/175094214.db2.gz NFYZXQOPELFPCT-UHFFFAOYSA-N 0 3 288.328 2.546 10 30 CFEEHN Cc1occc1CN(C)Cc1cc(C#CCN)cs1 ZINC000043689027 175095785 /nfs/dbraw/zinc/09/57/85/175095785.db2.gz LCYBCSAISFFDPF-UHFFFAOYSA-N 0 3 274.389 2.592 10 30 CFEEHN CC1(NC(=O)c2cc(C#CCN)ccc2F)CCCCC1 ZINC000045047654 175296987 /nfs/dbraw/zinc/29/69/87/175296987.db2.gz DBFJRYYHADGYML-UHFFFAOYSA-N 0 3 288.366 2.589 10 30 CFEEHN CC1(NC(=O)c2cc(F)ccc2C#CCN)CCCCC1 ZINC000045047653 175297024 /nfs/dbraw/zinc/29/70/24/175297024.db2.gz UAAACFRSUCKCKW-UHFFFAOYSA-N 0 3 288.366 2.589 10 30 CFEEHN C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)CC(C)(C)C ZINC000045073493 175302465 /nfs/dbraw/zinc/30/24/65/175302465.db2.gz RSOKLAIEAUPYEB-LBPRGKRZSA-N 0 3 273.380 2.863 10 30 CFEEHN N#CC1(c2cccc(Br)c2)CCNCC1 ZINC000071597534 176220651 /nfs/dbraw/zinc/22/06/51/176220651.db2.gz SCKIBKIFLGJUQZ-UHFFFAOYSA-N 0 3 265.154 2.594 10 30 CFEEHN C=C(Cl)CN[C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400446305 332710318 /nfs/dbraw/zinc/71/03/18/332710318.db2.gz PPTUWAFNFOVDGF-RYUDHWBXSA-N 0 3 288.819 2.974 10 30 CFEEHN N#C[C@H]1CCC[C@@H]1NCCCOCc1ccccc1 ZINC000342781562 335186719 /nfs/dbraw/zinc/18/67/19/335186719.db2.gz MKKHCPDOLMWOMR-CVEARBPZSA-N 0 3 258.365 2.875 10 30 CFEEHN C=CCNC(=O)[C@H](C)N[C@@H](CCC)c1cccs1 ZINC000049545066 518922449 /nfs/dbraw/zinc/92/24/49/518922449.db2.gz YFAUBDJXKBVQQQ-RYUDHWBXSA-N 0 3 266.410 2.870 10 30 CFEEHN CCN(CC)CCN[C@]1(C#N)CCC[C@@H](C(F)(F)F)C1 ZINC000069384724 520690363 /nfs/dbraw/zinc/69/03/63/520690363.db2.gz SGNFNROKUQUHLF-CHWSQXEVSA-N 0 3 291.361 2.933 10 30 CFEEHN C=CCNCCOc1ccc(OCC)cc1CC=C ZINC000053587464 518951316 /nfs/dbraw/zinc/95/13/16/518951316.db2.gz MRDZGHXPMHFBOI-UHFFFAOYSA-N 0 3 261.365 2.968 10 30 CFEEHN C=CCOc1ccccc1CN[C@@H]1CCCC[C@H]1O ZINC000051998394 519072541 /nfs/dbraw/zinc/07/25/41/519072541.db2.gz WUWAAIKDCOLWEF-HUUCEWRRSA-N 0 3 261.365 2.645 10 30 CFEEHN CC(C)CC[C@@H](C)NC(=O)c1ccc(C#CCN)c(F)c1 ZINC000069235776 519681787 /nfs/dbraw/zinc/68/17/87/519681787.db2.gz QCDUARLDEANPGV-CYBMUJFWSA-N 0 3 290.382 2.690 10 30 CFEEHN CC(C)CC[C@@H](C)NC(=O)c1ccc(C#CCN)cc1 ZINC000069235788 519682030 /nfs/dbraw/zinc/68/20/30/519682030.db2.gz SOCSEBDLAJQKMH-CQSZACIVSA-N 0 3 272.392 2.551 10 30 CFEEHN CCCN[C@@H](C)c1nnn(-c2cc(C#N)ccc2C)c1C ZINC000050436689 519991509 /nfs/dbraw/zinc/99/15/09/519991509.db2.gz VNOLMNSRRSUYNL-LBPRGKRZSA-N 0 3 283.379 2.816 10 30 CFEEHN CC[NH+](CC)CCOc1cccc2c1CC/C2=N\[O-] ZINC000062800278 520699416 /nfs/dbraw/zinc/69/94/16/520699416.db2.gz XHTSHKLUNSATLA-JQIJEIRASA-N 0 3 262.353 2.532 10 30 CFEEHN CCOc1ccc(OCc2ccc(C#CCN)cc2)cc1 ZINC000049610401 521181607 /nfs/dbraw/zinc/18/16/07/521181607.db2.gz RCVOLKAATGTKBR-UHFFFAOYSA-N 0 3 281.355 2.975 10 30 CFEEHN CCN(Cc1ccco1)Cc1cccc(C#CCN)c1 ZINC000049609860 521398472 /nfs/dbraw/zinc/39/84/72/521398472.db2.gz BTKYAVLKUBTHCU-UHFFFAOYSA-N 0 3 268.360 2.612 10 30 CFEEHN CN(C)c1cccc(OCc2ccc(C#CCN)cc2)c1 ZINC000049611152 522283363 /nfs/dbraw/zinc/28/33/63/522283363.db2.gz KCILXGUPFQJJKL-UHFFFAOYSA-N 0 3 280.371 2.642 10 30 CFEEHN CC[C@@H](NC(=O)c1ccccc1C#CCN)c1cccs1 ZINC000049533324 522795117 /nfs/dbraw/zinc/79/51/17/522795117.db2.gz NZPNYPPYZDOEJQ-OAHLLOKOSA-N 0 3 298.411 2.939 10 30 CFEEHN CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C#CCN)c1 ZINC000049124772 523043355 /nfs/dbraw/zinc/04/33/55/523043355.db2.gz BRIPCCWLLVWQJC-RDJZCZTQSA-N 0 3 284.403 2.695 10 30 CFEEHN CC[C@H]1CCCN(Cc2cc(C#CCO)ccc2OC)C1 ZINC000049613055 523091679 /nfs/dbraw/zinc/09/16/79/523091679.db2.gz CBLSIFBXIMNWJX-HNNXBMFYSA-N 0 3 287.403 2.661 10 30 CFEEHN CN(Cc1ccc(Cl)cc1)CC1(C=O)CCOCC1 ZINC000052180345 523228397 /nfs/dbraw/zinc/22/83/97/523228397.db2.gz MJJJXUTWUCHMLX-UHFFFAOYSA-N 0 3 281.783 2.768 10 30 CFEEHN COc1ccc(C#CCCO)cc1CN1CCC[C@@H](C)C1 ZINC000049616010 523510233 /nfs/dbraw/zinc/51/02/33/523510233.db2.gz DYJPDTIQZFQIEL-OAHLLOKOSA-N 0 3 287.403 2.661 10 30 CFEEHN CC[C@H](C)N(CC)Cc1ccc(C#CCO)cc1F ZINC000049617608 523934614 /nfs/dbraw/zinc/93/46/14/523934614.db2.gz AWQRCACJHXMYSX-ZDUSSCGKSA-N 0 3 263.356 2.790 10 30 CFEEHN COc1ccc(CN(C)c2ccccc2)cc1C#CCN ZINC000049608421 524011284 /nfs/dbraw/zinc/01/12/84/524011284.db2.gz BKIOKNJXYPFLED-UHFFFAOYSA-N 0 3 280.371 2.642 10 30 CFEEHN Cc1cccc(C(=O)Nc2cc(C#CCN)ccc2Cl)n1 ZINC000061692025 524213569 /nfs/dbraw/zinc/21/35/69/524213569.db2.gz KDQCWURKHQRKNQ-UHFFFAOYSA-N 0 3 299.761 2.606 10 30 CFEEHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(F)cc1C#CCO ZINC000049616921 524363128 /nfs/dbraw/zinc/36/31/28/524363128.db2.gz WPKMDZKFJQFVAN-OKILXGFUSA-N 0 3 275.367 2.932 10 30 CFEEHN Cc1cccc(CN(C)Cc2ccc(C#CCO)cc2)c1 ZINC000049615091 524374703 /nfs/dbraw/zinc/37/47/03/524374703.db2.gz YTOYPZZLLWFDMZ-UHFFFAOYSA-N 0 3 279.383 2.971 10 30 CFEEHN Cc1ccc(CN(C)Cc2ccccc2C#CCN)o1 ZINC000049609109 524394889 /nfs/dbraw/zinc/39/48/89/524394889.db2.gz YQNFZJUQYQUIMH-UHFFFAOYSA-N 0 3 268.360 2.530 10 30 CFEEHN Cc1ccc(CN(C)Cc2ccccc2C#CCO)cc1 ZINC000049617048 524395372 /nfs/dbraw/zinc/39/53/72/524395372.db2.gz CAUCSIILKUDSJB-UHFFFAOYSA-N 0 3 279.383 2.971 10 30 CFEEHN COc1ccccc1OCc1ccc(C#CCN)cc1 ZINC000049610554 524685497 /nfs/dbraw/zinc/68/54/97/524685497.db2.gz HIPUZRIVLSYMPS-UHFFFAOYSA-N 0 3 267.328 2.584 10 30 CFEEHN COc1ccc(OCc2ccc(C#CCN)cc2F)cc1 ZINC000049610571 524975454 /nfs/dbraw/zinc/97/54/54/524975454.db2.gz QTBGTVXKEDBKHB-UHFFFAOYSA-N 0 3 285.318 2.724 10 30 CFEEHN C[C@@H](N)c1ccccc1OCc1cccnc1C#N ZINC000061656377 525031681 /nfs/dbraw/zinc/03/16/81/525031681.db2.gz ZBQKZRMZEJHVCK-LLVKDONJSA-N 0 3 253.305 2.552 10 30 CFEEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1cccc(C#N)c1 ZINC000083704425 525080664 /nfs/dbraw/zinc/08/06/64/525080664.db2.gz LZXODYGWYBGBDR-RHSMWYFYSA-N 0 3 269.392 2.617 10 30 CFEEHN Cc1ccccc1CN(C)Cc1ccccc1C#CCO ZINC000049614465 525128872 /nfs/dbraw/zinc/12/88/72/525128872.db2.gz BDMSXKLGODHCQE-UHFFFAOYSA-N 0 3 279.383 2.971 10 30 CFEEHN Cc1cnc(SCc2ccc(C#CCN)cc2F)nc1 ZINC000049612963 526100738 /nfs/dbraw/zinc/10/07/38/526100738.db2.gz BBLSOXDMPMMMOI-UHFFFAOYSA-N 0 3 287.363 2.527 10 30 CFEEHN Cc1ccc(C(=O)Nc2cc(C#CCN)ccc2Cl)o1 ZINC000061691959 526217630 /nfs/dbraw/zinc/21/76/30/526217630.db2.gz HUMOEWKFLZCBBT-UHFFFAOYSA-N 0 3 288.734 2.804 10 30 CFEEHN NCC#Cc1cc(F)ccc1COCc1ccccc1F ZINC000069285274 527148270 /nfs/dbraw/zinc/14/82/70/527148270.db2.gz CJOAKBMGSLULQA-UHFFFAOYSA-N 0 3 287.309 2.992 10 30 CFEEHN NCC#Cc1cc(F)ccc1COCc1cccs1 ZINC000049611172 527148494 /nfs/dbraw/zinc/14/84/94/527148494.db2.gz SKTFDPOKDXXXLK-UHFFFAOYSA-N 0 3 275.348 2.914 10 30 CFEEHN NCC#Cc1ccc(Cl)c(NC(=O)Cc2ccccc2)c1 ZINC000061692015 527149758 /nfs/dbraw/zinc/14/97/58/527149758.db2.gz AACCAYJFYOJRKN-UHFFFAOYSA-N 0 3 298.773 2.831 10 30 CFEEHN NCC#Cc1ccc(COc2ccc(F)cc2)cc1 ZINC000049610515 527150475 /nfs/dbraw/zinc/15/04/75/527150475.db2.gz XIVQBSGTARALAK-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN NCC#Cc1cccc(CN2Cc3ccccc3C2)c1 ZINC000050911916 527151587 /nfs/dbraw/zinc/15/15/87/527151587.db2.gz KWLPEUALIHIJNZ-UHFFFAOYSA-N 0 3 262.356 2.513 10 30 CFEEHN CC(C#N)C(=O)c1ccccc1I ZINC000036931629 346325116 /nfs/dbraw/zinc/32/51/16/346325116.db2.gz UKMPRRFYKDXNNB-SSDOTTSWSA-N 0 3 285.084 2.634 10 30 CFEEHN CN(C)CCNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000090998047 347564132 /nfs/dbraw/zinc/56/41/32/347564132.db2.gz MGCAZTYCYRCEAM-UHFFFAOYSA-N 0 3 274.755 2.733 10 30 CFEEHN CCc1ccc([C@@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000123182651 347818461 /nfs/dbraw/zinc/81/84/61/347818461.db2.gz MGJRUMXDNBWJKN-FZKQIMNGSA-N 0 3 299.418 2.708 10 30 CFEEHN C=C[C@@H](NC)c1csc(I)c1 ZINC000130531233 347871696 /nfs/dbraw/zinc/87/16/96/347871696.db2.gz YYASAAXUDGWIGH-SSDOTTSWSA-N 0 3 279.146 2.799 10 30 CFEEHN C=C(C)[C@H](N)c1ccc(I)cc1 ZINC000131228660 347877174 /nfs/dbraw/zinc/87/71/74/347877174.db2.gz UXGWMFLUEWWVIH-JTQLQIEISA-N 0 3 273.117 2.867 10 30 CFEEHN CCN1CCC[C@](C#N)(NCc2ccccc2)CC1 ZINC000086849214 179357767 /nfs/dbraw/zinc/35/77/67/179357767.db2.gz NCHVGKYUUHNSIT-INIZCTEOSA-N 0 3 257.381 2.544 10 30 CFEEHN CCN1CCC[C@@](C#N)(Nc2cccc(OC)c2)CC1 ZINC000086849129 179358320 /nfs/dbraw/zinc/35/83/20/179358320.db2.gz QOUJOFYTVYEZGY-MRXNPFEDSA-N 0 3 273.380 2.875 10 30 CFEEHN C=C[C@H](CCOCC)NCCOc1ccccc1OC ZINC000584620292 348692111 /nfs/dbraw/zinc/69/21/11/348692111.db2.gz ASPPZRKYARCOMI-CQSZACIVSA-N 0 3 279.380 2.645 10 30 CFEEHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1Cl ZINC000594427654 349418508 /nfs/dbraw/zinc/41/85/08/349418508.db2.gz VUORIHOBIQQCCP-RISCZKNCSA-N 0 3 293.798 2.928 10 30 CFEEHN CCN1CCC[C@H]1CN(C)Cc1ccc(C#N)s1 ZINC000123431532 187091589 /nfs/dbraw/zinc/09/15/89/187091589.db2.gz XNHLVIHPXZJZSJ-LBPRGKRZSA-N 0 3 263.410 2.536 10 30 CFEEHN Cc1nccn1C[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC000178293032 189104188 /nfs/dbraw/zinc/10/41/88/189104188.db2.gz CNNODTQEYPRGAR-QGZVFWFLSA-N 0 3 280.375 2.728 10 30 CFEEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000178287736 189102908 /nfs/dbraw/zinc/10/29/08/189102908.db2.gz AJVAYWJDFFLUGP-INIZCTEOSA-N 0 3 298.365 2.867 10 30 CFEEHN Cc1cc(NCCN2CCCC[C@H]2C)c(C#N)c(C)n1 ZINC000301797338 201204732 /nfs/dbraw/zinc/20/47/32/201204732.db2.gz UIXSJMGRGZOUTE-CYBMUJFWSA-N 0 3 272.396 2.856 10 30 CFEEHN CC(C#N)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000044825987 373010017 /nfs/dbraw/zinc/01/00/17/373010017.db2.gz IGSWWTVAYOVCAP-RKDXNWHRSA-N 0 3 281.153 2.786 10 30 CFEEHN CN(C)Cc1ccc(Oc2cccc(C#N)n2)cc1 ZINC000067756020 373999657 /nfs/dbraw/zinc/99/96/57/373999657.db2.gz QMAYIMXEYFVQJP-UHFFFAOYSA-N 0 3 253.305 2.807 10 30 CFEEHN CC[C@H](CC#N)N[C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400367218 380856935 /nfs/dbraw/zinc/85/69/35/380856935.db2.gz SBYUIAGAEWKNPC-MGPQQGTHSA-N 0 3 295.427 2.914 10 30 CFEEHN Cc1nc(N2C[C@H]3CCCN3C[C@H]2C)c(Cl)cc1C#N ZINC000292811864 381846937 /nfs/dbraw/zinc/84/69/37/381846937.db2.gz ZDWJDCNYSUHRDV-ZWNOBZJWSA-N 0 3 290.798 2.588 10 30 CFEEHN N#Cc1ccc(N2CCN3CCCC[C@H]3C2)cc1Cl ZINC000252667205 383425957 /nfs/dbraw/zinc/42/59/57/383425957.db2.gz GWIVFVQDVOFQDC-AWEZNQCLSA-N 0 3 275.783 2.886 10 30 CFEEHN CN(C)C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000007816631 170304011 /nfs/dbraw/zinc/30/40/11/170304011.db2.gz UFZUDRRTOQXRMS-QGZVFWFLSA-N 0 3 293.370 2.591 10 30 CFEEHN CN(C)CCN[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000020175378 171041688 /nfs/dbraw/zinc/04/16/88/171041688.db2.gz YRJNATPDCOWBGV-HNNXBMFYSA-N 0 3 259.397 2.700 10 30 CFEEHN NCC#Cc1cccc(OCc2ccccc2F)c1 ZINC000037547973 173264362 /nfs/dbraw/zinc/26/43/62/173264362.db2.gz XLTNMTCHCPTTFZ-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN C[C@@H](N)[C@@H](Oc1cccc(F)c1C#N)c1ccco1 ZINC000043337816 175012655 /nfs/dbraw/zinc/01/26/55/175012655.db2.gz UTFZPYKIGDPUCY-YMTOWFKASA-N 0 3 260.268 2.758 10 30 CFEEHN CCCNCc1ccc(OC)cc1O[C@@H](C#N)CC ZINC000043538999 175063737 /nfs/dbraw/zinc/06/37/37/175063737.db2.gz VONDYBOYSAREPG-CYBMUJFWSA-N 0 3 262.353 2.876 10 30 CFEEHN Cc1occc1CN(C)Cc1sccc1C#CCN ZINC000043684031 175092363 /nfs/dbraw/zinc/09/23/63/175092363.db2.gz AUOSUGAHRKWFRY-UHFFFAOYSA-N 0 3 274.389 2.592 10 30 CFEEHN NCC#Cc1ccc(COCc2cccs2)s1 ZINC000043685415 175093755 /nfs/dbraw/zinc/09/37/55/175093755.db2.gz YJBVFMIHXVZARK-UHFFFAOYSA-N 0 3 263.387 2.837 10 30 CFEEHN COc1ccc(OCc2cc(C#CCN)cs2)cc1 ZINC000043689268 175096323 /nfs/dbraw/zinc/09/63/23/175096323.db2.gz PHCAXKQDANSNQD-UHFFFAOYSA-N 0 3 273.357 2.646 10 30 CFEEHN C=C(C)CN1CCC(N(CC)CC(=O)OC(C)(C)C)CC1 ZINC000190356890 260286600 /nfs/dbraw/zinc/28/66/00/260286600.db2.gz PNILQJRKMBONDP-UHFFFAOYSA-N 0 3 296.455 2.691 10 30 CFEEHN C=CCCOCCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000090883470 327101484 /nfs/dbraw/zinc/10/14/84/327101484.db2.gz YMFXOQVMKYLYPX-LBPRGKRZSA-N 0 3 265.401 2.763 10 30 CFEEHN C=CCCOCCN[C@H](C)c1c(C)nn(CC)c1C ZINC000090883469 327101640 /nfs/dbraw/zinc/10/16/40/327101640.db2.gz YMFXOQVMKYLYPX-GFCCVEGCSA-N 0 3 265.401 2.763 10 30 CFEEHN Clc1cccc(C#CCN2CCN3CCCC[C@@H]3C2)c1 ZINC000125299986 330338726 /nfs/dbraw/zinc/33/87/26/330338726.db2.gz XBGJGYQRAXBLTB-QGZVFWFLSA-N 0 3 288.822 2.862 10 30 CFEEHN N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000217456599 333121031 /nfs/dbraw/zinc/12/10/31/333121031.db2.gz MXZGQQSCKOXBAJ-BBWFWOEESA-N 0 3 269.392 2.543 10 30 CFEEHN C=CCCCCCN1CCN(CCOC)[C@@H](CC)C1 ZINC000193336445 333248418 /nfs/dbraw/zinc/24/84/18/333248418.db2.gz UAVPLVZZJTYQFZ-INIZCTEOSA-N 0 3 268.445 2.775 10 30 CFEEHN N#C[C@@H]1CCC[C@H]1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000250646463 334347691 /nfs/dbraw/zinc/34/76/91/334347691.db2.gz LXRNXOKAPUWRQT-OKZBNKHCSA-N 0 3 283.419 2.933 10 30 CFEEHN N#C[C@@H]1CCC[C@@H]1NCCCOCc1ccccc1 ZINC000342781564 335186637 /nfs/dbraw/zinc/18/66/37/335186637.db2.gz MKKHCPDOLMWOMR-HOTGVXAUSA-N 0 3 258.365 2.875 10 30 CFEEHN CCC[C@@H](C)N(C)Cc1cc(C#CCO)ccc1OC ZINC000049613214 520645632 /nfs/dbraw/zinc/64/56/32/520645632.db2.gz KAXJFVIDEXCPEE-CQSZACIVSA-N 0 3 275.392 2.659 10 30 CFEEHN CCN(CC)CCN[C@]1(C#N)CCCc2sccc21 ZINC000061329727 520688940 /nfs/dbraw/zinc/68/89/40/520688940.db2.gz YGUJZVFUTCRNFG-HNNXBMFYSA-N 0 3 277.437 2.735 10 30 CFEEHN C=C(Cl)COc1c(CNCCOC)cccc1OC ZINC000062732389 518650953 /nfs/dbraw/zinc/65/09/53/518650953.db2.gz PTLCFBBZOMAMEP-UHFFFAOYSA-N 0 3 285.771 2.563 10 30 CFEEHN C=CCC[C@H](O)CN(CCCOC)Cc1ccsc1 ZINC000036099451 518723791 /nfs/dbraw/zinc/72/37/91/518723791.db2.gz DFDZYDPQQMUXGY-HNNXBMFYSA-N 0 3 283.437 2.914 10 30 CFEEHN CC(C)C[C@H](C)OCCOc1ccc(C#CCN)cc1 ZINC000049610804 519324031 /nfs/dbraw/zinc/32/40/31/519324031.db2.gz YRDXUHTXYAKLBV-HNNXBMFYSA-N 0 3 275.392 2.827 10 30 CFEEHN CC(C)CC[C@H](C)NC(=O)c1cc(F)ccc1C#CCN ZINC000069235771 519690777 /nfs/dbraw/zinc/69/07/77/519690777.db2.gz ZLIPQEFZUYHLFG-ZDUSSCGKSA-N 0 3 290.382 2.690 10 30 CFEEHN CC(C)CC[C@H](C)NC(=O)c1cc(C#CCN)ccc1F ZINC000069235783 519690868 /nfs/dbraw/zinc/69/08/68/519690868.db2.gz AXYYGSGHZLMVLI-ZDUSSCGKSA-N 0 3 290.382 2.690 10 30 CFEEHN CC(C)c1csc(NC(=O)c2ccc(C#CCN)cc2)n1 ZINC000049239580 519856475 /nfs/dbraw/zinc/85/64/75/519856475.db2.gz FEGOJRDRADKWNH-UHFFFAOYSA-N 0 3 299.399 2.829 10 30 CFEEHN CCCC1CCN(C(=O)c2ccc(C#CCN)cc2)CC1 ZINC000050907098 519900178 /nfs/dbraw/zinc/90/01/78/519900178.db2.gz HXMOUUIXTLQNMD-UHFFFAOYSA-N 0 3 284.403 2.649 10 30 CFEEHN CC[C@@H](C)CN(C)Cc1cc(C#CCCO)ccc1OC ZINC000049617870 521970516 /nfs/dbraw/zinc/97/05/16/521970516.db2.gz VIKLXMHHJODOCD-OAHLLOKOSA-N 0 3 289.419 2.907 10 30 CFEEHN COc1cc(C)ccc1OCc1ccc(C#CCN)cc1 ZINC000049610830 522281351 /nfs/dbraw/zinc/28/13/51/522281351.db2.gz GIMIEPWAIFOGJI-UHFFFAOYSA-N 0 3 281.355 2.893 10 30 CFEEHN CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#CCN)cc1 ZINC000049124747 523059233 /nfs/dbraw/zinc/05/92/33/523059233.db2.gz KCRPZLNEAUHJCE-DOTOQJQBSA-N 0 3 284.403 2.695 10 30 CFEEHN COc1ccc(C#CCN)cc1CO[C@@H](C)CC(C)C ZINC000049610810 523512512 /nfs/dbraw/zinc/51/25/12/523512512.db2.gz CPVMARVTQPGKKT-AWEZNQCLSA-N 0 3 275.392 2.957 10 30 CFEEHN CCn1cnnc1[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000195520292 523607442 /nfs/dbraw/zinc/60/74/42/523607442.db2.gz ADRRKKLFRDMLNT-INIZCTEOSA-N 0 3 295.390 2.549 10 30 CFEEHN C[C@H]1CCC[C@@](CO)(N[C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054829957 524173169 /nfs/dbraw/zinc/17/31/69/524173169.db2.gz OKQAHGGCWBJHEZ-GBJTYRQASA-N 0 3 250.386 2.600 10 30 CFEEHN C[C@H]1CCC[C@H](C)N1Cc1ccc(C#CCO)cc1F ZINC000049616913 524190858 /nfs/dbraw/zinc/19/08/58/524190858.db2.gz VEVVNQOVFQUPBF-KBPBESRZSA-N 0 3 275.367 2.932 10 30 CFEEHN Cc1ccc(CN(C)Cc2ccc(C#CCN)cc2)o1 ZINC000049609110 524395270 /nfs/dbraw/zinc/39/52/70/524395270.db2.gz BHXDYVBFPDOXMT-UHFFFAOYSA-N 0 3 268.360 2.530 10 30 CFEEHN C[C@H](NC(=O)c1cccc(C#CCN)c1)C1CCCCC1 ZINC000052344709 525228797 /nfs/dbraw/zinc/22/87/97/525228797.db2.gz IBFUZLQAWBXRCY-AWEZNQCLSA-N 0 3 284.403 2.695 10 30 CFEEHN C[C@H](NC(=O)c1ccsc1)c1ccc(C#CCN)cc1 ZINC000049586755 525258721 /nfs/dbraw/zinc/25/87/21/525258721.db2.gz GNNFFZASRYNNSS-LBPRGKRZSA-N 0 3 284.384 2.549 10 30 CFEEHN Cc1ccccc1OCc1cccc(C#CCN)c1 ZINC000049610510 525317372 /nfs/dbraw/zinc/31/73/72/525317372.db2.gz ZYUNYEVRWHCOPD-UHFFFAOYSA-N 0 3 251.329 2.884 10 30 CFEEHN Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#CCN)cc2)s1 ZINC000049586775 526195796 /nfs/dbraw/zinc/19/57/96/526195796.db2.gz STPBRQIYSBSRTP-ZDUSSCGKSA-N 0 3 298.411 2.858 10 30 CFEEHN Cc1nn(Cc2cccc(C#CCN)c2)c(C)c1Cl ZINC000050587890 526292116 /nfs/dbraw/zinc/29/21/16/526292116.db2.gz CWFUPVMZCUTOQC-UHFFFAOYSA-N 0 3 273.767 2.512 10 30 CFEEHN N#C[C@@H]1CCCCC[C@H]1N1CCC[C@@H]1CCCO ZINC000052759640 526500138 /nfs/dbraw/zinc/50/01/38/526500138.db2.gz VYJIUKRRJCWPSO-RRFJBIMHSA-N 0 3 250.386 2.696 10 30 CFEEHN N#Cc1c(CN2CCC[C@@H]2CCCO)cn2ccccc12 ZINC000052762973 526518870 /nfs/dbraw/zinc/51/88/70/526518870.db2.gz LXXJACYOIIKWSG-OAHLLOKOSA-N 0 3 283.375 2.548 10 30 CFEEHN N#Cc1c(F)cccc1NCCCNCc1cccnc1 ZINC000063197244 526524893 /nfs/dbraw/zinc/52/48/93/526524893.db2.gz GSIYVBCBUVYWMO-UHFFFAOYSA-N 0 3 284.338 2.684 10 30 CFEEHN N#Cc1ccc([C@H](O)CNCc2ccc(F)cc2F)cc1 ZINC000051017273 526689499 /nfs/dbraw/zinc/68/94/99/526689499.db2.gz ALHMQEDDNPSFBD-MRXNPFEDSA-N 0 3 288.297 2.660 10 30 CFEEHN Cc1nc(C[C@H]2CCCN(Cc3ccc(C#N)cc3)C2)no1 ZINC000161045101 526923924 /nfs/dbraw/zinc/92/39/24/526923924.db2.gz CZWGVFFCWGFVHG-MRXNPFEDSA-N 0 3 296.374 2.704 10 30 CFEEHN NCC#Cc1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000049239572 527148539 /nfs/dbraw/zinc/14/85/39/527148539.db2.gz DBBBQHLPBHBIAO-UHFFFAOYSA-N 0 3 297.383 2.583 10 30 CFEEHN NCC#Cc1cccc(COc2ccc(F)cc2F)c1 ZINC000049610388 527152811 /nfs/dbraw/zinc/15/28/11/527152811.db2.gz VRFIBEOCEGZKEJ-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN NCC#Cc1ccccc1COc1cccc(F)c1 ZINC000049610560 527154950 /nfs/dbraw/zinc/15/49/50/527154950.db2.gz KQBNTQRNLDIISQ-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN NCC#Cc1csc(CN2Cc3ccccc3C2)c1 ZINC000050911910 527156182 /nfs/dbraw/zinc/15/61/82/527156182.db2.gz XNMJPUPCKWZULO-UHFFFAOYSA-N 0 3 268.385 2.574 10 30 CFEEHN C[C@H](C#N)OCCN[C@@H](C)c1ccc(Cl)s1 ZINC000304206220 651016245 /nfs/dbraw/zinc/01/62/45/651016245.db2.gz CXPQSCJNYKDSDT-BDAKNGLRSA-N 0 3 258.774 2.981 10 30 CFEEHN CC(C#N)C(=O)c1ccc(Br)cc1F ZINC000036931607 346325131 /nfs/dbraw/zinc/32/51/31/346325131.db2.gz NNFFBCGVIFPVPC-ZCFIWIBFSA-N 0 3 256.074 2.931 10 30 CFEEHN Cc1cc(C#N)ccc1CN1CCN2CCCC[C@@H]2C1 ZINC000165495510 348040331 /nfs/dbraw/zinc/04/03/31/348040331.db2.gz DDBFENMZWJVGKW-QGZVFWFLSA-N 0 3 269.392 2.537 10 30 CFEEHN CCC[C@H](N)C#Cc1sccc1Br ZINC000229906458 348203538 /nfs/dbraw/zinc/20/35/38/348203538.db2.gz XGTWHYFXQUXXBA-QMMMGPOBSA-N 0 3 258.184 2.990 10 30 CFEEHN CC(C)[C@@H](N)C#Cc1sccc1Br ZINC000300830833 348369859 /nfs/dbraw/zinc/36/98/59/348369859.db2.gz CABOZIUFEMXXRN-VIFPVBQESA-N 0 3 258.184 2.845 10 30 CFEEHN N=C(NCc1ccccc1Cl)NN=Cc1ccccc1 ZINC000584605340 348686923 /nfs/dbraw/zinc/68/69/23/348686923.db2.gz NJPCEVTZHJZDDI-VXLYETTFSA-N 0 3 286.766 2.988 10 30 CFEEHN CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594428294 349418611 /nfs/dbraw/zinc/41/86/11/349418611.db2.gz MHNZEOROUWCHRT-GJZGRUSLSA-N 0 3 273.380 2.665 10 30 CFEEHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1Cl ZINC000594427651 349418699 /nfs/dbraw/zinc/41/86/99/349418699.db2.gz VUORIHOBIQQCCP-FZMZJTMJSA-N 0 3 293.798 2.928 10 30 CFEEHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)s1 ZINC000594428885 349419433 /nfs/dbraw/zinc/41/94/33/349419433.db2.gz PQKSEYCXYPJMNE-NXEZZACHSA-N 0 3 299.827 2.990 10 30 CFEEHN C#CCCCCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000179661520 189210699 /nfs/dbraw/zinc/21/06/99/189210699.db2.gz SNXFRZRXLICTJD-MRXNPFEDSA-N 0 3 272.392 2.599 10 30 CFEEHN CC(C)[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000012669059 371980491 /nfs/dbraw/zinc/98/04/91/371980491.db2.gz NVNIZEAWLZNZML-RYUDHWBXSA-N 0 3 259.353 2.519 10 30 CFEEHN C=CCN(CC=C)C1Cc2cc(OC)c(OC)cc2C1 ZINC000013471392 372027736 /nfs/dbraw/zinc/02/77/36/372027736.db2.gz NCRMSLVCAGMWKS-UHFFFAOYSA-N 0 3 273.376 2.845 10 30 CFEEHN C#CCOc1c(CNC2CCCC2)cccc1OC ZINC000045945612 373038798 /nfs/dbraw/zinc/03/87/98/373038798.db2.gz KFESUUABBMKWGO-UHFFFAOYSA-N 0 3 259.349 2.739 10 30 CFEEHN C#CCOc1ccc2ccccc2c1CNC(C)(C)CO ZINC000045945572 373038936 /nfs/dbraw/zinc/03/89/36/373038936.db2.gz IKYVSNOUASEVKY-UHFFFAOYSA-N 0 3 283.371 2.712 10 30 CFEEHN C=CCOc1ccccc1CNC[C@@H]1CCCC[C@@H]1O ZINC000077204436 374558743 /nfs/dbraw/zinc/55/87/43/374558743.db2.gz CVRFSOTXTXUTSF-HOCLYGCPSA-N 0 3 275.392 2.892 10 30 CFEEHN CCN1CCC[C@@H]1CN(C)c1c(F)cc(C#N)cc1F ZINC000093232603 375197676 /nfs/dbraw/zinc/19/76/76/375197676.db2.gz UFYAFSQYGAWSKZ-GFCCVEGCSA-N 0 3 279.334 2.757 10 30 CFEEHN C[C@@H]1C[C@@](O)(C#CSCc2ccccc2)[C@@H](C)CN1C ZINC000256009034 190001639 /nfs/dbraw/zinc/00/16/39/190001639.db2.gz WLHLVECYSXWTCK-UXLLHSPISA-N 0 3 289.444 2.972 10 30 CFEEHN C=CCC[C@@H](O)CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000124958691 377103854 /nfs/dbraw/zinc/10/38/54/377103854.db2.gz HAFYCYIQXIWBCE-UONOGXRCSA-N 0 3 280.437 2.958 10 30 CFEEHN Cc1cc(NCCN2CCCCCC2)c(C#N)c(C)n1 ZINC000133754593 377955602 /nfs/dbraw/zinc/95/56/02/377955602.db2.gz HUQPMSKFCMPNRZ-UHFFFAOYSA-N 0 3 272.396 2.858 10 30 CFEEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C#N)c1 ZINC000176262190 380204669 /nfs/dbraw/zinc/20/46/69/380204669.db2.gz HPBMLJXORWPOCW-OAHLLOKOSA-N 0 3 286.379 2.506 10 30 CFEEHN C[C@@H](c1cccc(C#N)c1)N1CCN2CCCC[C@@H]2C1 ZINC000187663478 382239014 /nfs/dbraw/zinc/23/90/14/382239014.db2.gz HLAGHGOMJMFCHQ-WMLDXEAASA-N 0 3 269.392 2.789 10 30 CFEEHN N#Cc1cc(Cl)ccc1CN1CCN2CCCC[C@H]2C1 ZINC000248585890 383265293 /nfs/dbraw/zinc/26/52/93/383265293.db2.gz XRMAYMDFUSDAKY-INIZCTEOSA-N 0 3 289.810 2.882 10 30 CFEEHN Cc1cc(C)c(C#N)c(NC[C@@H]2NCCc3ccccc32)n1 ZINC000262558216 383627735 /nfs/dbraw/zinc/62/77/35/383627735.db2.gz UQRZFBXLSKRSEL-KRWDZBQOSA-N 0 3 292.386 2.869 10 30 CFEEHN C=CCN(Cc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000046054154 393575985 /nfs/dbraw/zinc/57/59/85/393575985.db2.gz AWTWKMRSSGVBIO-MRXNPFEDSA-N 0 3 277.408 2.851 10 30 CFEEHN C[C@@H]1CN2CCCC[C@H]2CN1c1cccc(F)c1C#N ZINC000252661663 297091843 /nfs/dbraw/zinc/09/18/43/297091843.db2.gz NSDRMWMFZZRLPX-OLZOCXBDSA-N 0 3 273.355 2.760 10 30 CFEEHN CC(C)C[C@H](N)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037393480 173173351 /nfs/dbraw/zinc/17/33/51/173173351.db2.gz VQJSIJLKDAAQAT-LBPRGKRZSA-N 0 3 265.744 2.524 10 30 CFEEHN C[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCCCC1 ZINC000038029363 174019705 /nfs/dbraw/zinc/01/97/05/174019705.db2.gz YOVYBZDPFQRGRY-GFCCVEGCSA-N 0 3 288.351 2.753 10 30 CFEEHN COc1ccccc1COc1ccc(C#CCN)cc1 ZINC000043457891 175050583 /nfs/dbraw/zinc/05/05/83/175050583.db2.gz DOSURFXESZACCX-UHFFFAOYSA-N 0 3 267.328 2.584 10 30 CFEEHN CCN[C@H]1CC(C)(C)Oc2cc(OCC#N)ccc21 ZINC000043460423 175051327 /nfs/dbraw/zinc/05/13/27/175051327.db2.gz YWJIFZBOLFNCRD-ZDUSSCGKSA-N 0 3 260.337 2.801 10 30 CFEEHN CCCOc1ccc(CNCC)c(O[C@H](C)C#N)c1 ZINC000043513648 175061690 /nfs/dbraw/zinc/06/16/90/175061690.db2.gz MGVRGTSIEXAIIM-GFCCVEGCSA-N 0 3 262.353 2.876 10 30 CFEEHN Cc1cccc(NC(=O)c2ccc(C#CCN)c(F)c2)c1 ZINC000043582434 175069749 /nfs/dbraw/zinc/06/97/49/175069749.db2.gz DWDLPKNJTVBRKB-UHFFFAOYSA-N 0 3 282.318 2.697 10 30 CFEEHN C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(C#CCN)c(F)c1 ZINC000043582620 175070168 /nfs/dbraw/zinc/07/01/68/175070168.db2.gz LJZDVIBCHRADPK-STQMWFEESA-N 0 3 288.366 2.539 10 30 CFEEHN CCN(Cc1ccco1)Cc1sccc1C#CCN ZINC000043683996 175091618 /nfs/dbraw/zinc/09/16/18/175091618.db2.gz IECJBUYAYGCQRU-UHFFFAOYSA-N 0 3 274.389 2.673 10 30 CFEEHN NCC#Cc1ccsc1CN(CC(F)(F)F)C1CC1 ZINC000043684266 175092662 /nfs/dbraw/zinc/09/26/62/175092662.db2.gz SAPSKBOLWBASBB-UHFFFAOYSA-N 0 3 288.338 2.585 10 30 CFEEHN NCC#Cc1ccsc1COc1ccc(F)cc1F ZINC000043684603 175092802 /nfs/dbraw/zinc/09/28/02/175092802.db2.gz UNKGTFPYGKCLCL-UHFFFAOYSA-N 0 3 279.311 2.916 10 30 CFEEHN NCC#Cc1ccc(COCc2ccccc2)s1 ZINC000043684543 175093096 /nfs/dbraw/zinc/09/30/96/175093096.db2.gz YUUADZQDLCBREP-UHFFFAOYSA-N 0 3 257.358 2.775 10 30 CFEEHN Cc1ccc(C#N)c(N[C@@H](CC(C)C)CN(C)C)n1 ZINC000044419630 175173786 /nfs/dbraw/zinc/17/37/86/175173786.db2.gz SEUHPPDOAXZRKK-AWEZNQCLSA-N 0 3 260.385 2.650 10 30 CFEEHN C[C@H](CNc1nc2c(cc1C#N)CCC2)N1CCCCC1 ZINC000044419817 175173808 /nfs/dbraw/zinc/17/38/08/175173808.db2.gz BRGLRYJOKMQHGK-CYBMUJFWSA-N 0 3 284.407 2.728 10 30 CFEEHN C[C@@H](CNc1nc2c(cc1C#N)CCC2)N1CCCCC1 ZINC000044419814 175173856 /nfs/dbraw/zinc/17/38/56/175173856.db2.gz BRGLRYJOKMQHGK-ZDUSSCGKSA-N 0 3 284.407 2.728 10 30 CFEEHN C#CCN1CCC(N[C@@H](C)c2cc(C)oc2C)CC1 ZINC000044729916 175239644 /nfs/dbraw/zinc/23/96/44/175239644.db2.gz DHGLKWRHFWGKGC-ZDUSSCGKSA-N 0 3 260.381 2.645 10 30 CFEEHN N#CC(Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000044808623 175257592 /nfs/dbraw/zinc/25/75/92/175257592.db2.gz SWYOWQJJTWTDQP-AWEZNQCLSA-N 0 3 256.349 2.818 10 30 CFEEHN N#CC(Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000044809252 175257776 /nfs/dbraw/zinc/25/77/76/175257776.db2.gz HOHQBNGWCUAPQG-INIZCTEOSA-N 0 3 264.328 2.685 10 30 CFEEHN Cc1cccc2c1C(=O)N(Cc1cccnc1)C2C#N ZINC000071678166 176242992 /nfs/dbraw/zinc/24/29/92/176242992.db2.gz BWQZAYQOZVORBL-CQSZACIVSA-N 0 3 263.300 2.611 10 30 CFEEHN CCN1CCC[C@H]1CN(C)c1c(F)cc(C#N)cc1F ZINC000093232604 276183679 /nfs/dbraw/zinc/18/36/79/276183679.db2.gz UFYAFSQYGAWSKZ-LBPRGKRZSA-N 0 3 279.334 2.757 10 30 CFEEHN CCN1CCC[C@@H]1CN(C)c1cc(C#N)ccc1C(C)=O ZINC000131310754 279302233 /nfs/dbraw/zinc/30/22/33/279302233.db2.gz CUICVXHVVGWUCQ-OAHLLOKOSA-N 0 3 285.391 2.681 10 30 CFEEHN C#CCOc1cccc(CNCc2ccc(OC)cc2)c1 ZINC000045945926 330350021 /nfs/dbraw/zinc/35/00/21/330350021.db2.gz AHNJXDWANSONPV-UHFFFAOYSA-N 0 3 281.355 2.997 10 30 CFEEHN COc1ccc(C[C@H](C)N[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000250968323 334354094 /nfs/dbraw/zinc/35/40/94/334354094.db2.gz DAVOCTOUZXQCEK-AEGPPILISA-N 0 3 288.391 2.917 10 30 CFEEHN CCOCCN1CCN(CCCC(C)(C)C#N)C[C@H]1CC ZINC000174849474 333008925 /nfs/dbraw/zinc/00/89/25/333008925.db2.gz UUNBYRVQAPHZMX-MRXNPFEDSA-N 0 3 295.471 2.749 10 30 CFEEHN C=CCN1CC[C@H]2[C@H]1CCN2Cc1ccc(CC)o1 ZINC000253606353 333186101 /nfs/dbraw/zinc/18/61/01/333186101.db2.gz MPIDIQYBZKAZOT-CVEARBPZSA-N 0 3 260.381 2.677 10 30 CFEEHN CCCCC[C@@H](C)NC(=O)c1cccc(C#CCN)c1 ZINC000049105945 520286802 /nfs/dbraw/zinc/28/68/02/520286802.db2.gz XCWYXJYXLMFGSO-CQSZACIVSA-N 0 3 272.392 2.695 10 30 CFEEHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cccs1 ZINC000182480417 518591987 /nfs/dbraw/zinc/59/19/87/518591987.db2.gz DXDDUCVSOKQOFA-LBPRGKRZSA-N 0 3 266.410 2.823 10 30 CFEEHN CC(C)C[C@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000049558274 519343973 /nfs/dbraw/zinc/34/39/73/519343973.db2.gz MKYSXURLMXHXBX-CYBMUJFWSA-N 0 3 290.367 2.855 10 30 CFEEHN CC(C)CC[C@@H](C)NC(=O)c1ccccc1C#CCN ZINC000069235768 519682560 /nfs/dbraw/zinc/68/25/60/519682560.db2.gz IAGCVEOBVQKSLF-CQSZACIVSA-N 0 3 272.392 2.551 10 30 CFEEHN CC(C)c1nccn1Cc1ccc(F)c(C#CCN)c1 ZINC000049610138 519880006 /nfs/dbraw/zinc/88/00/06/519880006.db2.gz RIBMVCTYSUCVEZ-UHFFFAOYSA-N 0 3 271.339 2.504 10 30 CFEEHN CC[C@@H](C)N(C)Cc1ccc(C#CCCO)cc1F ZINC000049617186 522063705 /nfs/dbraw/zinc/06/37/05/522063705.db2.gz PUJQRDDONIMHAV-CYBMUJFWSA-N 0 3 263.356 2.790 10 30 CFEEHN CN(Cc1ccc(F)c(C#CCN)c1)c1ccccc1 ZINC000049608426 523239836 /nfs/dbraw/zinc/23/98/36/523239836.db2.gz ISTPSPQYWSLVDP-UHFFFAOYSA-N 0 3 268.335 2.772 10 30 CFEEHN CC[C@@H]1CCCN(Cc2ccc(F)cc2C#CCO)C1 ZINC000049613078 523253666 /nfs/dbraw/zinc/25/36/66/523253666.db2.gz AKHCWYSJSWEXHQ-CQSZACIVSA-N 0 3 275.367 2.792 10 30 CFEEHN CC[C@@H]1CCCN1Cc1ccc(F)c(C#CCO)c1 ZINC000049615163 523269347 /nfs/dbraw/zinc/26/93/47/523269347.db2.gz YKOUBLILPRZPFO-OAHLLOKOSA-N 0 3 261.340 2.544 10 30 CFEEHN CN(Cc1cccc(F)c1)Cc1cccc(C#CCN)c1 ZINC000049608793 523312321 /nfs/dbraw/zinc/31/23/21/523312321.db2.gz BFPYMYHYSQKZNN-UHFFFAOYSA-N 0 3 282.362 2.768 10 30 CFEEHN COc1ccc(C#CCN)cc1COC1CCCCC1 ZINC000049610320 523512866 /nfs/dbraw/zinc/51/28/66/523512866.db2.gz AOZPAMIKOAUTSU-UHFFFAOYSA-N 0 3 273.376 2.855 10 30 CFEEHN COc1ccc(C#CCO)cc1CN(C)CCC(C)C ZINC000049614901 523518016 /nfs/dbraw/zinc/51/80/16/523518016.db2.gz HNGSUVWBRGDKRD-UHFFFAOYSA-N 0 3 275.392 2.517 10 30 CFEEHN C[C@@H]1CCCCN1Cc1ccc(F)cc1C#CCO ZINC000049615744 524115785 /nfs/dbraw/zinc/11/57/85/524115785.db2.gz ZMULOCHAGDMTIG-CYBMUJFWSA-N 0 3 261.340 2.544 10 30 CFEEHN C[C@@H]1CCCN(Cc2ccc(F)cc2C#CCO)[C@@H]1C ZINC000050566733 524235054 /nfs/dbraw/zinc/23/50/54/524235054.db2.gz GSBCAFSKLWTVEA-ZIAGYGMSSA-N 0 3 275.367 2.790 10 30 CFEEHN C[C@@H]1CCCN1Cc1ccc(F)c(C#CCCO)c1 ZINC000049615272 524261615 /nfs/dbraw/zinc/26/16/15/524261615.db2.gz ZIAKXASUFCXVPY-CYBMUJFWSA-N 0 3 261.340 2.544 10 30 CFEEHN C[C@H](N)c1ccccc1OCc1cccnc1C#N ZINC000061656376 524869639 /nfs/dbraw/zinc/86/96/39/524869639.db2.gz ZBQKZRMZEJHVCK-NSHDSACASA-N 0 3 253.305 2.552 10 30 CFEEHN C[C@@H](NC(=O)C1CCCCC1)c1ccc(C#CCN)cc1 ZINC000049586738 525068981 /nfs/dbraw/zinc/06/89/81/525068981.db2.gz HCNLDMWTLIQTBR-CQSZACIVSA-N 0 3 284.403 2.754 10 30 CFEEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccccc1C#N ZINC000083704261 525080164 /nfs/dbraw/zinc/08/01/64/525080164.db2.gz QQUQCMHZHCIEOK-RHSMWYFYSA-N 0 3 269.392 2.617 10 30 CFEEHN Cc1ccccc1CN(C)Cc1cccc(C#CCO)c1 ZINC000049614469 525128487 /nfs/dbraw/zinc/12/84/87/525128487.db2.gz SYIQSMCRNXOEQQ-UHFFFAOYSA-N 0 3 279.383 2.971 10 30 CFEEHN C[C@@H](NC(=O)c1ccc(C#CCN)cc1)C1CCCCC1 ZINC000052344706 525322294 /nfs/dbraw/zinc/32/22/94/525322294.db2.gz BIVCTCQBEXKEEY-CQSZACIVSA-N 0 3 284.403 2.695 10 30 CFEEHN Cc1ccc(OCc2cccc(C#CCN)c2)cc1 ZINC000049610643 525444486 /nfs/dbraw/zinc/44/44/86/525444486.db2.gz UUWIFQAGHNGLKY-UHFFFAOYSA-N 0 3 251.329 2.884 10 30 CFEEHN Cc1ccc(C(=O)N(C)Cc2ccc(C#CCN)cc2)s1 ZINC000049586622 526060660 /nfs/dbraw/zinc/06/06/60/526060660.db2.gz XZMUSBCFRHWVRT-UHFFFAOYSA-N 0 3 298.411 2.639 10 30 CFEEHN Cc1ccc(C(=O)N[C@H](C)c2cccc(C#CCN)c2)s1 ZINC000049587236 526210601 /nfs/dbraw/zinc/21/06/01/526210601.db2.gz RWLMOYHMRHPLLV-CYBMUJFWSA-N 0 3 298.411 2.858 10 30 CFEEHN COc1cccc(OCc2cccc(C#CCN)c2)c1 ZINC000049610436 526236700 /nfs/dbraw/zinc/23/67/00/526236700.db2.gz DSZMZTWDWQZHRB-UHFFFAOYSA-N 0 3 267.328 2.584 10 30 CFEEHN Cc1nn(Cc2ccc(F)cc2C#CCN)c(C)c1Cl ZINC000050587891 526292274 /nfs/dbraw/zinc/29/22/74/526292274.db2.gz VVWZKGVKSOAUTH-UHFFFAOYSA-N 0 3 291.757 2.651 10 30 CFEEHN N#C[C@H]1CCCCC[C@H]1N1CCC[C@@H]1CCCO ZINC000052759639 526512610 /nfs/dbraw/zinc/51/26/10/526512610.db2.gz VYJIUKRRJCWPSO-RBSFLKMASA-N 0 3 250.386 2.696 10 30 CFEEHN NN=C(NC1CCCC1)[C@H]1CCCc2ccccc21 ZINC000054669733 526816915 /nfs/dbraw/zinc/81/69/15/526816915.db2.gz FOPRPZGHIOZASK-HNNXBMFYSA-N 0 3 257.381 2.911 10 30 CFEEHN NCC#Cc1cc(F)ccc1COc1ccc(F)c(F)c1 ZINC000049611080 527148104 /nfs/dbraw/zinc/14/81/04/527148104.db2.gz UVTZMAHCFYWQBZ-UHFFFAOYSA-N 0 3 291.272 2.993 10 30 CFEEHN NCC#Cc1ccc(COc2ccc(F)c(F)c2)cc1 ZINC000049611077 527149710 /nfs/dbraw/zinc/14/97/10/527149710.db2.gz UNJUUJJZEJLMRU-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN NCC#Cc1ccc(OCCOC2CCCCC2)cc1 ZINC000049610316 527151923 /nfs/dbraw/zinc/15/19/23/527151923.db2.gz GZODPGZKSBYXFR-UHFFFAOYSA-N 0 3 273.376 2.725 10 30 CFEEHN NCC#Cc1csc(COCc2ccccc2F)c1 ZINC000069285281 527156372 /nfs/dbraw/zinc/15/63/72/527156372.db2.gz JUKHJBGLBHMTCB-UHFFFAOYSA-N 0 3 275.348 2.914 10 30 CFEEHN OCC#Cc1cc(F)ccc1CN1CCCCCCC1 ZINC000049617071 527518589 /nfs/dbraw/zinc/51/85/89/527518589.db2.gz JVHOLCGSRXELSY-UHFFFAOYSA-N 0 3 275.367 2.936 10 30 CFEEHN C=C[C@@H](NC)c1ccc(I)cc1 ZINC000130578552 347872480 /nfs/dbraw/zinc/87/24/80/347872480.db2.gz WBQIPRFUBWWWQS-SNVBAGLBSA-N 0 3 273.117 2.738 10 30 CFEEHN C=C(C)[C@@H](N)c1ccc(I)cc1 ZINC000131228885 347877405 /nfs/dbraw/zinc/87/74/05/347877405.db2.gz UXGWMFLUEWWVIH-SNVBAGLBSA-N 0 3 273.117 2.867 10 30 CFEEHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000172908644 348103950 /nfs/dbraw/zinc/10/39/50/348103950.db2.gz WOTYXAICLFEFFG-IAGOWNOFSA-N 0 3 290.451 2.969 10 30 CFEEHN CC(=O)N(C1CCC1)[C@H]1CCCN(CCCC#N)CC1 ZINC000328654667 348442032 /nfs/dbraw/zinc/44/20/32/348442032.db2.gz XPIJCUXNCSUTTE-INIZCTEOSA-N 0 3 277.412 2.546 10 30 CFEEHN C[C@@H]1CC(C=O)C[C@@H](C)N1CCOc1ccccc1 ZINC000584883069 348726322 /nfs/dbraw/zinc/72/63/22/348726322.db2.gz GEETVWRSCUSPFZ-ZIAGYGMSSA-N 0 3 261.365 2.753 10 30 CFEEHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)s1 ZINC000594428889 349419823 /nfs/dbraw/zinc/41/98/23/349419823.db2.gz PQKSEYCXYPJMNE-ZJUUUORDSA-N 0 3 299.827 2.990 10 30 CFEEHN C[C@H](N)c1nc2ccc(C#N)cc2n1-c1ccccc1 ZINC000091692148 180227895 /nfs/dbraw/zinc/22/78/95/180227895.db2.gz WWZLYSBJNRDGFZ-NSHDSACASA-N 0 3 262.316 2.917 10 30 CFEEHN C=C(Br)CN1CCC[C@H]1Cn1ccnc1C ZINC000178303257 189105081 /nfs/dbraw/zinc/10/50/81/189105081.db2.gz VNRVDSYKPCBQOY-LBPRGKRZSA-N 0 3 284.201 2.565 10 30 CFEEHN C=CCN(CC1CCCCC1)C(=O)[C@@H](N)CCC ZINC000236794207 260595919 /nfs/dbraw/zinc/59/59/19/260595919.db2.gz REZZLGWFRDDTRL-AWEZNQCLSA-N 0 3 252.402 2.709 10 30 CFEEHN Cc1cc(NC2CCN(C3CC3)CC2)c(C#N)c(C)n1 ZINC000301790426 201200521 /nfs/dbraw/zinc/20/05/21/201200521.db2.gz QLOJAAHDGOEEOS-UHFFFAOYSA-N 0 3 270.380 2.609 10 30 CFEEHN C#CCNCc1ccc(OCc2ccccc2)cc1 ZINC000019875359 372201515 /nfs/dbraw/zinc/20/15/15/372201515.db2.gz AUYGSDROBMEBDW-UHFFFAOYSA-N 0 3 251.329 2.988 10 30 CFEEHN N#C[C@H]1CCC[C@H]1NC1CCN(Cc2ccccc2)CC1 ZINC000054823755 373530340 /nfs/dbraw/zinc/53/03/40/373530340.db2.gz SGNKNIVNFUOYSA-SJLPKXTDSA-N 0 3 283.419 2.933 10 30 CFEEHN C[C@@H](C#N)Oc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000092616064 375131010 /nfs/dbraw/zinc/13/10/10/375131010.db2.gz RFFNVQVXDZRZOF-DOTOQJQBSA-N 0 3 299.418 2.648 10 30 CFEEHN N#Cc1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)s1 ZINC000129363528 377418192 /nfs/dbraw/zinc/41/81/92/377418192.db2.gz QRPYJKSECWBZKG-DOMZBBRYSA-N 0 3 276.405 2.747 10 30 CFEEHN C=C(Cl)CN[C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400446302 380861876 /nfs/dbraw/zinc/86/18/76/380861876.db2.gz PPTUWAFNFOVDGF-NWDGAFQWSA-N 0 3 288.819 2.974 10 30 CFEEHN N#Cc1cccc(OCCCN2C[C@H]3CCC[C@@H]32)c1 ZINC000357623872 382256111 /nfs/dbraw/zinc/25/61/11/382256111.db2.gz UIKQNKIHIOJRQH-ZBFHGGJFSA-N 0 3 256.349 2.811 10 30 CFEEHN C[C@@H](C#N)Oc1ccc(CN2CCN3CCCC[C@H]3C2)cc1 ZINC000245565122 383009923 /nfs/dbraw/zinc/00/99/23/383009923.db2.gz RFFNVQVXDZRZOF-RDJZCZTQSA-N 0 3 299.418 2.648 10 30 CFEEHN C=CCCC(C)(C)CNC(=O)[C@@]1(C)CCCCN1 ZINC000638874659 385007385 /nfs/dbraw/zinc/00/73/85/385007385.db2.gz JHPWAJLDERRUSK-OAHLLOKOSA-N 0 3 252.402 2.627 10 30 CFEEHN C=CCC[C@H](O)CN(CCCOC)Cc1cccs1 ZINC000036096598 393522444 /nfs/dbraw/zinc/52/24/44/393522444.db2.gz OOGWOIWMWRYHMK-AWEZNQCLSA-N 0 3 283.437 2.914 10 30 CFEEHN C[C@H]1CN2CCCC[C@H]2CN1c1cccc(F)c1C#N ZINC000252661664 393937729 /nfs/dbraw/zinc/93/77/29/393937729.db2.gz NSDRMWMFZZRLPX-STQMWFEESA-N 0 3 273.355 2.760 10 30 CFEEHN CC(C)N1C[C@@H](C)[C@@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000129829981 394095150 /nfs/dbraw/zinc/09/51/50/394095150.db2.gz FDYVAWNALYDUPU-MFKMUULPSA-N 0 3 278.787 2.747 10 30 CFEEHN Cc1nc(N2C[C@H]3CCCN3C[C@@H]2C)c(Cl)cc1C#N ZINC000292811831 394277499 /nfs/dbraw/zinc/27/74/99/394277499.db2.gz ZDWJDCNYSUHRDV-GXFFZTMASA-N 0 3 290.798 2.588 10 30 CFEEHN N#Cc1ccc(NC(=O)CNC2CCCC2)cc1Cl ZINC000037386780 173169524 /nfs/dbraw/zinc/16/95/24/173169524.db2.gz MFZDUSIWXMFXIK-UHFFFAOYSA-N 0 3 277.755 2.682 10 30 CFEEHN NCC#Cc1ccccc1OCCc1ccccc1 ZINC000037547906 173264258 /nfs/dbraw/zinc/26/42/58/173264258.db2.gz LXBYXEKVCQJCLV-UHFFFAOYSA-N 0 3 251.329 2.618 10 30 CFEEHN NCC#Cc1ccccc1OCc1cccc(F)c1 ZINC000037547905 173264675 /nfs/dbraw/zinc/26/46/75/173264675.db2.gz SVHKEWVUHWUDNH-UHFFFAOYSA-N 0 3 255.292 2.715 10 30 CFEEHN C#CCN[C@@H]1CCc2cc(Br)ccc21 ZINC000040226054 174209014 /nfs/dbraw/zinc/20/90/14/174209014.db2.gz CGMMUWJQIQCSFT-GFCCVEGCSA-N 0 3 250.139 2.659 10 30 CFEEHN CC(C)[C@@H](N)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000040852949 174421623 /nfs/dbraw/zinc/42/16/23/174421623.db2.gz QYAGGGHMWVKJRV-TVQRCGJNSA-N 0 3 291.420 2.666 10 30 CFEEHN CC1(C)C[C@H](N)c2ccc(OCCCC#N)cc2O1 ZINC000043460126 175051306 /nfs/dbraw/zinc/05/13/06/175051306.db2.gz ONNINXUDCUGROM-ZDUSSCGKSA-N 0 3 260.337 2.930 10 30 CFEEHN CCOc1cc(CNC2CC2)ccc1O[C@H](C)C#N ZINC000043513468 175061782 /nfs/dbraw/zinc/06/17/82/175061782.db2.gz IOVKBTIIKAUYST-LLVKDONJSA-N 0 3 260.337 2.628 10 30 CFEEHN CC[C@@H](C#N)Oc1c(Cl)cc(CNC)cc1OC ZINC000043538674 175063852 /nfs/dbraw/zinc/06/38/52/175063852.db2.gz LOXSYPDZUCACPL-JTQLQIEISA-N 0 3 268.744 2.749 10 30 CFEEHN CC[C@H](C#N)Oc1ccc(OC)cc1CNC(C)C ZINC000043538671 175064092 /nfs/dbraw/zinc/06/40/92/175064092.db2.gz WSPGIGPYZHNLFQ-CYBMUJFWSA-N 0 3 262.353 2.874 10 30 CFEEHN CCCCC[C@H](C)NC(=O)c1ccc(C#CCN)c(F)c1 ZINC000043583084 175070367 /nfs/dbraw/zinc/07/03/67/175070367.db2.gz ZYORXURURJXAFD-ZDUSSCGKSA-N 0 3 290.382 2.835 10 30 CFEEHN CCCCN(Cc1ccc(C#CCO)s1)C1CC1 ZINC000043678168 175089005 /nfs/dbraw/zinc/08/90/05/175089005.db2.gz HMVZXRRINHOXJY-UHFFFAOYSA-N 0 3 263.406 2.856 10 30 CFEEHN CN(Cc1ccsc1)Cc1sccc1C#CCN ZINC000043683678 175092053 /nfs/dbraw/zinc/09/20/53/175092053.db2.gz YMSSLCBVCYYAFE-UHFFFAOYSA-N 0 3 276.430 2.752 10 30 CFEEHN NCC#Cc1ccsc1COc1ccc([N+](=O)[O-])cc1 ZINC000043685342 175094168 /nfs/dbraw/zinc/09/41/68/175094168.db2.gz LJYQQSWWTVIDNQ-UHFFFAOYSA-N 0 3 288.328 2.546 10 30 CFEEHN CN(Cc1cc(C#CCN)cs1)c1ccccc1 ZINC000043688796 175095975 /nfs/dbraw/zinc/09/59/75/175095975.db2.gz ZKHQDQVKDNBKBZ-UHFFFAOYSA-N 0 3 256.374 2.695 10 30 CFEEHN NCC#Cc1csc(COc2ccccc2F)c1 ZINC000043689250 175096203 /nfs/dbraw/zinc/09/62/03/175096203.db2.gz RDNLKLAYDCLMLT-UHFFFAOYSA-N 0 3 261.321 2.776 10 30 CFEEHN NCC#Cc1csc(CN(Cc2ccco2)C2CC2)c1 ZINC000043689125 175096297 /nfs/dbraw/zinc/09/62/97/175096297.db2.gz CWMTYCKWYHQWQF-UHFFFAOYSA-N 0 3 286.400 2.816 10 30 CFEEHN C=CCNC(=O)[C@H](C)NCc1ccc(C(C)C)cc1 ZINC000044387932 175170199 /nfs/dbraw/zinc/17/01/99/175170199.db2.gz LYHYYNLGVRJVDL-ZDUSSCGKSA-N 0 3 260.381 2.590 10 30 CFEEHN CC1(NC(=O)c2ccc(C#CCN)cc2F)CCCCC1 ZINC000045047655 175296983 /nfs/dbraw/zinc/29/69/83/175296983.db2.gz YEEFPTYJCCTIJJ-UHFFFAOYSA-N 0 3 288.366 2.589 10 30 CFEEHN C=C(C)CN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105918134 262353357 /nfs/dbraw/zinc/35/33/57/262353357.db2.gz NQTYKWWLRNRPNT-AWEZNQCLSA-N 0 3 280.437 2.629 10 30 CFEEHN Cc1cc(N[C@@H](C)CN(C)Cc2ccccc2)c(C#N)cn1 ZINC000399754123 267301602 /nfs/dbraw/zinc/30/16/02/267301602.db2.gz VWDIEDNGQDHZBO-HNNXBMFYSA-N 0 3 294.402 2.616 10 30 CFEEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCCC(C)(C)C#N ZINC000093097815 327104503 /nfs/dbraw/zinc/10/45/03/327104503.db2.gz QJDFWZZPVHCEHI-HUUCEWRRSA-N 0 3 263.429 2.875 10 30 CFEEHN C=CCN1CCC(NC(=O)NC2CCC(CC)CC2)CC1 ZINC000171719401 329079354 /nfs/dbraw/zinc/07/93/54/329079354.db2.gz QRQJHNBLAMKRBH-UHFFFAOYSA-N 0 3 293.455 2.905 10 30 CFEEHN CCn1cnnc1[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000174839549 329163789 /nfs/dbraw/zinc/16/37/89/329163789.db2.gz WVIKHVQGPFAUAX-AWEZNQCLSA-N 0 3 289.427 2.807 10 30 CFEEHN Cc1sc(CNC(=N)Nc2ccccn2)nc1C(C)C ZINC000262503247 330018229 /nfs/dbraw/zinc/01/82/29/330018229.db2.gz ARNXGZRAUYBXBG-UHFFFAOYSA-N 0 3 289.408 2.897 10 30 CFEEHN Cc1ccc([C@H](C)NC(=O)[C@H](N)CCCC#N)c(C)c1 ZINC000424104637 330233891 /nfs/dbraw/zinc/23/38/91/330233891.db2.gz UZAWQCOTKOZSQT-DZGCQCFKSA-N 0 3 273.380 2.502 10 30 CFEEHN C=C(C)CN(CC)Cc1cc(CNCCC)no1 ZINC000052423379 518599556 /nfs/dbraw/zinc/59/95/56/518599556.db2.gz RQZFQHAIWATLGF-UHFFFAOYSA-N 0 3 251.374 2.572 10 30 CFEEHN C=CCOc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000050517146 519007277 /nfs/dbraw/zinc/00/72/77/519007277.db2.gz LMFZTBLOWXVGHV-UHFFFAOYSA-N 0 3 250.298 2.658 10 30 CFEEHN CC(C)C[C@@H]1CSC(N[C@H](CN(C)C)C(C)C)=N1 ZINC000049222051 519277303 /nfs/dbraw/zinc/27/73/03/519277303.db2.gz MMDXVSRXGOQOGX-CHWSQXEVSA-N 0 3 271.474 2.680 10 30 CFEEHN CC(C)CSCCOc1cccc(C#CCN)c1 ZINC000049611459 519769520 /nfs/dbraw/zinc/76/95/20/519769520.db2.gz GKBGGLBPRMTEKW-UHFFFAOYSA-N 0 3 263.406 2.765 10 30 CFEEHN CC(C)c1csc(NC(=O)c2cccc(C#CCN)c2)n1 ZINC000049239582 519856867 /nfs/dbraw/zinc/85/68/67/519856867.db2.gz SQDJUWKYFWQHBF-UHFFFAOYSA-N 0 3 299.399 2.829 10 30 CFEEHN CCC1CCN(Cc2ccc(C#CCN)cc2F)CC1 ZINC000049609929 519859853 /nfs/dbraw/zinc/85/98/53/519859853.db2.gz XAXXVCOXLMTFFQ-UHFFFAOYSA-N 0 3 274.383 2.758 10 30 CFEEHN CCCCN(Cc1ccc(C#CCO)cc1F)C1CC1 ZINC000049613883 520544990 /nfs/dbraw/zinc/54/49/90/520544990.db2.gz LFPIEYPWBQYLHT-UHFFFAOYSA-N 0 3 275.367 2.934 10 30 CFEEHN CC[C@@H](C)N1CCN([C@@H]2CCCCC[C@@H]2C#N)CC1 ZINC000055066467 522128856 /nfs/dbraw/zinc/12/88/56/522128856.db2.gz YVKWSSDXMYMZJT-BZUAXINKSA-N 0 3 263.429 2.875 10 30 CFEEHN CC[C@H]1CCCC[C@H]1NC(=O)c1ccccc1C#CCN ZINC000049124764 523058200 /nfs/dbraw/zinc/05/82/00/523058200.db2.gz CAVDVQKHPMCLOH-WMLDXEAASA-N 0 3 284.403 2.695 10 30 CFEEHN CC[C@@H]1CCCCN1Cc1ccc(F)c(C#CCO)c1 ZINC000049617507 523179323 /nfs/dbraw/zinc/17/93/23/523179323.db2.gz PJISRZBGMJOENS-MRXNPFEDSA-N 0 3 275.367 2.934 10 30 CFEEHN CN(Cc1ccc(C#CCN)cc1F)c1ccccc1 ZINC000049608423 523205256 /nfs/dbraw/zinc/20/52/56/523205256.db2.gz PVQFLUWEVZQKRD-UHFFFAOYSA-N 0 3 268.335 2.772 10 30 CFEEHN CN(Cc1cccc(C#CCN)c1)Cc1ccccc1F ZINC000049609731 523290489 /nfs/dbraw/zinc/29/04/89/523290489.db2.gz AEJHTDBHKWYMHG-UHFFFAOYSA-N 0 3 282.362 2.768 10 30 CFEEHN COCCNCc1cc(Cl)ccc1OCCCC#N ZINC000062731062 523949359 /nfs/dbraw/zinc/94/93/59/523949359.db2.gz DBFGJVIQLPTBPI-UHFFFAOYSA-N 0 3 282.771 2.759 10 30 CFEEHN COc1ccc(COCc2ccccc2)cc1C#CCN ZINC000049610345 524117478 /nfs/dbraw/zinc/11/74/78/524117478.db2.gz GGRISGJJQXZBHV-UHFFFAOYSA-N 0 3 281.355 2.722 10 30 CFEEHN COc1ccc(COc2cccc(F)c2)cc1C#CCN ZINC000049610563 524119675 /nfs/dbraw/zinc/11/96/75/524119675.db2.gz AZSQOUOIBXAZND-UHFFFAOYSA-N 0 3 285.318 2.724 10 30 CFEEHN COc1ccc(COc2ccccc2F)cc1C#CCN ZINC000049610449 524122044 /nfs/dbraw/zinc/12/20/44/524122044.db2.gz DABPPMICVDOSHD-UHFFFAOYSA-N 0 3 285.318 2.724 10 30 CFEEHN C[C@@H]1CCCN(Cc2ccc(F)c(C#CCO)c2)[C@@H]1C ZINC000050566735 524235466 /nfs/dbraw/zinc/23/54/66/524235466.db2.gz WKRVFUFYXJDHOM-ZIAGYGMSSA-N 0 3 275.367 2.790 10 30 CFEEHN Cc1ccccc1CN(C)Cc1ccc(C#CCO)cc1 ZINC000049614468 525128026 /nfs/dbraw/zinc/12/80/26/525128026.db2.gz KRLWUXVESKOVPS-UHFFFAOYSA-N 0 3 279.383 2.971 10 30 CFEEHN C[C@@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCCO1 ZINC000162617920 525519240 /nfs/dbraw/zinc/51/92/40/525519240.db2.gz CBLXZJNDKUITAJ-YGRLFVJLSA-N 0 3 264.756 2.869 10 30 CFEEHN Cc1ccc([C@H](C)NC(=O)c2ccccc2C#CCN)s1 ZINC000049189288 525913225 /nfs/dbraw/zinc/91/32/25/525913225.db2.gz FHQGGTQITZXONH-ZDUSSCGKSA-N 0 3 298.411 2.858 10 30 CFEEHN Cc1nn(Cc2sccc2C#CCN)c(C)c1Cl ZINC000050587895 526300410 /nfs/dbraw/zinc/30/04/10/526300410.db2.gz FQCLCWRHWMRUGU-UHFFFAOYSA-N 0 3 279.796 2.573 10 30 CFEEHN N#C[C@@H]1CCCCC[C@@H]1N1CCC[C@@H]1CCCO ZINC000052759642 526498488 /nfs/dbraw/zinc/49/84/88/526498488.db2.gz VYJIUKRRJCWPSO-ZNMIVQPWSA-N 0 3 250.386 2.696 10 30 CFEEHN N#Cc1cccc(COc2cc(CN)ccc2[N+](=O)[O-])c1 ZINC000050516223 526710865 /nfs/dbraw/zinc/71/08/65/526710865.db2.gz CITMUKRSTXAFJG-UHFFFAOYSA-N 0 3 283.287 2.504 10 30 CFEEHN NCC#Cc1cccc(CNC(=O)c2cccc(Cl)c2)c1 ZINC000049586510 527152383 /nfs/dbraw/zinc/15/23/83/527152383.db2.gz SLOZZMGFBNHWDG-UHFFFAOYSA-N 0 3 298.773 2.580 10 30 CFEEHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000246081244 650852487 /nfs/dbraw/zinc/85/24/87/650852487.db2.gz FIKXTFQBFVPVOO-YNEHKIRRSA-N 0 3 279.343 2.796 10 30 CFEEHN N#Cc1ccc([C@@H](O)CN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000127701897 187327791 /nfs/dbraw/zinc/32/77/91/187327791.db2.gz VSTLGGDKTSFFFV-SJORKVTESA-N 0 3 296.374 2.542 10 30 CFEEHN N#Cc1cccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000127949056 187342872 /nfs/dbraw/zinc/34/28/72/187342872.db2.gz FCNANJVGYKBAPO-IAGOWNOFSA-N 0 3 270.376 2.685 10 30 CFEEHN CC(C#N)C(=O)c1cc(Br)ccc1F ZINC000036931608 346324941 /nfs/dbraw/zinc/32/49/41/346324941.db2.gz QKTXDMUUUAOSOA-LURJTMIESA-N 0 3 256.074 2.931 10 30 CFEEHN C=CCCCCCN(C)C(=O)N[C@H]1CCCN(CC)C1 ZINC000119612864 347802857 /nfs/dbraw/zinc/80/28/57/347802857.db2.gz GYFJNNPHGVHRFN-HNNXBMFYSA-N 0 3 281.444 2.859 10 30 CFEEHN CCCCC[C@H](C#CCN(CC)CC)OC(C)=O ZINC000144338727 347940701 /nfs/dbraw/zinc/94/07/01/347940701.db2.gz WOWBCSYGICCHLZ-OAHLLOKOSA-N 0 3 253.386 2.844 10 30 CFEEHN C=C[C@H](CC(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000128721232 187386495 /nfs/dbraw/zinc/38/64/95/187386495.db2.gz FNAJFHSXMCRFBB-ZBFHGGJFSA-N 0 3 272.392 2.509 10 30 CFEEHN Cc1ccccc1[C@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594425904 349418044 /nfs/dbraw/zinc/41/80/44/349418044.db2.gz MSQRVJILIGEQRW-DZGCQCFKSA-N 0 3 273.380 2.584 10 30 CFEEHN CC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594428295 349418552 /nfs/dbraw/zinc/41/85/52/349418552.db2.gz MHNZEOROUWCHRT-HUUCEWRRSA-N 0 3 273.380 2.665 10 30 CFEEHN C=CCC(CC=C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000153161897 188069046 /nfs/dbraw/zinc/06/90/46/188069046.db2.gz DORNJJWDSQKSMT-ZFWWWQNUSA-N 0 3 264.413 2.600 10 30 CFEEHN CC(C#N)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000044825984 373010399 /nfs/dbraw/zinc/01/03/99/373010399.db2.gz IGSWWTVAYOVCAP-IUCAKERBSA-N 0 3 281.153 2.786 10 30 CFEEHN CN(C)C[C@H](NC(=O)c1sccc1C#N)c1ccccc1 ZINC000052029278 373430413 /nfs/dbraw/zinc/43/04/13/373430413.db2.gz FNRYAPQZXWRPEW-AWEZNQCLSA-N 0 3 299.399 2.652 10 30 CFEEHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)NC ZINC000054074758 373495767 /nfs/dbraw/zinc/49/57/67/373495767.db2.gz OYSMDKCDEAGSKV-SECBINFHSA-N 0 3 272.801 2.524 10 30 CFEEHN C=CCC[C@H](N[C@H]1CCCn2nc(C)nc21)C1CC1 ZINC000090224809 375005760 /nfs/dbraw/zinc/00/57/60/375005760.db2.gz WAFGQGHDXNEQAN-KBPBESRZSA-N 0 3 260.385 2.756 10 30 CFEEHN C=CCOc1cccc(CN2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000128416624 377334148 /nfs/dbraw/zinc/33/41/48/377334148.db2.gz WFACRMYIZGTTSA-MRXNPFEDSA-N 0 3 297.402 2.974 10 30 CFEEHN C=C(Cl)CNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000127323442 377275749 /nfs/dbraw/zinc/27/57/49/377275749.db2.gz ZUSZMNVIWLLPHE-GFCCVEGCSA-N 0 3 288.819 2.976 10 30 CFEEHN Cc1cc(NCCN2CCC(C)CC2)c(C#N)c(C)n1 ZINC000133754809 377955313 /nfs/dbraw/zinc/95/53/13/377955313.db2.gz VSRYSFWPVGWEOB-UHFFFAOYSA-N 0 3 272.396 2.714 10 30 CFEEHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCCN1CC ZINC000151172045 378304172 /nfs/dbraw/zinc/30/41/72/378304172.db2.gz AFFAHJLYBLWJMA-OAHLLOKOSA-N 0 3 264.413 2.698 10 30 CFEEHN N#Cc1ccc(CN2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152495559 378421624 /nfs/dbraw/zinc/42/16/24/378421624.db2.gz HBWDEYHQMVLGFK-KRWDZBQOSA-N 0 3 279.343 2.607 10 30 CFEEHN Cc1cc(OCc2ccccc2)ccc1C#CCN ZINC000157384347 378654549 /nfs/dbraw/zinc/65/45/49/378654549.db2.gz BMCLTOGZCLOTCX-UHFFFAOYSA-N 0 3 251.329 2.884 10 30 CFEEHN Cc1cc(C#N)ccc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000163012774 378949315 /nfs/dbraw/zinc/94/93/15/378949315.db2.gz NEFNMMJUPGXWCB-OAHLLOKOSA-N 0 3 287.407 2.573 10 30 CFEEHN C=CCC(CC=C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246072800 383060794 /nfs/dbraw/zinc/06/07/94/383060794.db2.gz DORNJJWDSQKSMT-DZGCQCFKSA-N 0 3 264.413 2.600 10 30 CFEEHN N#Cc1ccc([C@@H](O)CN2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000248282387 383222185 /nfs/dbraw/zinc/22/21/85/383222185.db2.gz VSTLGGDKTSFFFV-IRXDYDNUSA-N 0 3 296.374 2.542 10 30 CFEEHN Cc1nccn1C[C@H]1CCCN1CC#Cc1ccccc1 ZINC000192058393 130360862 /nfs/dbraw/zinc/36/08/62/130360862.db2.gz OFPLHXXAMQACSY-GOSISDBHSA-N 0 3 279.387 2.708 10 30 CFEEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000037018707 172881429 /nfs/dbraw/zinc/88/14/29/172881429.db2.gz KYNYLOZQNBOAEP-PRHODGIISA-N 0 3 265.744 2.524 10 30 CFEEHN COc1cc(C#N)ccc1O[C@H](c1ccco1)[C@H](C)N ZINC000043336661 175012714 /nfs/dbraw/zinc/01/27/14/175012714.db2.gz NDSILCOOVDKSSR-BONVTDFDSA-N 0 3 272.304 2.627 10 30 CFEEHN NCC#Cc1cccc(OCc2cc(F)ccc2F)c1 ZINC000043459910 175050483 /nfs/dbraw/zinc/05/04/83/175050483.db2.gz IFBGDQYJHKTONR-UHFFFAOYSA-N 0 3 273.282 2.854 10 30 CFEEHN CC(C#N)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000043522956 175061834 /nfs/dbraw/zinc/06/18/34/175061834.db2.gz DXNDPBWUDGNLCG-JTQLQIEISA-N 0 3 251.351 2.670 10 30 CFEEHN NCC#Cc1ccc(C(=O)N2CCCCCCC2)cc1F ZINC000043582872 175069897 /nfs/dbraw/zinc/06/98/97/175069897.db2.gz MOHVJAGCVUQWRJ-UHFFFAOYSA-N 0 3 288.366 2.542 10 30 CFEEHN CCc1ccc(C(=O)Nc2ccc(C#CCN)cc2)s1 ZINC000043640332 175084434 /nfs/dbraw/zinc/08/44/34/175084434.db2.gz FJVSAGABNNITIS-UHFFFAOYSA-N 0 3 284.384 2.873 10 30 CFEEHN CCN(Cc1ccc(C#CCCO)s1)C(C)C ZINC000043679417 175090453 /nfs/dbraw/zinc/09/04/53/175090453.db2.gz OHQVWILRKQSZRY-UHFFFAOYSA-N 0 3 251.395 2.712 10 30 CFEEHN CN(Cc1cccs1)Cc1ccc(C#CCN)s1 ZINC000043683675 175092134 /nfs/dbraw/zinc/09/21/34/175092134.db2.gz CPOFNQNRRVGYDC-UHFFFAOYSA-N 0 3 276.430 2.752 10 30 CFEEHN CC(C)N(Cc1ccc(C#CCN)s1)CC(F)(F)F ZINC000043684269 175093191 /nfs/dbraw/zinc/09/31/91/175093191.db2.gz CWCDIGNWOZKYIN-UHFFFAOYSA-N 0 3 290.354 2.831 10 30 CFEEHN N#Cc1ccc(OCc2cc(C#CCN)cs2)cc1 ZINC000043689260 175096239 /nfs/dbraw/zinc/09/62/39/175096239.db2.gz LZTQOKRDCJHPQA-UHFFFAOYSA-N 0 3 268.341 2.509 10 30 CFEEHN C#CCN1CCC(N[C@H](C)c2cc(C)oc2C)CC1 ZINC000044729915 175239684 /nfs/dbraw/zinc/23/96/84/175239684.db2.gz DHGLKWRHFWGKGC-CYBMUJFWSA-N 0 3 260.381 2.645 10 30 CFEEHN C=CCCCCCN1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000193336203 333248449 /nfs/dbraw/zinc/24/84/49/333248449.db2.gz MGXBJYLUYRKRAT-HZPDHXFCSA-N 0 3 268.445 2.510 10 30 CFEEHN C=CCCCCCN1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000248732913 334315081 /nfs/dbraw/zinc/31/50/81/334315081.db2.gz MGXBJYLUYRKRAT-HOTGVXAUSA-N 0 3 268.445 2.510 10 30 CFEEHN