smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC#CC[C@@H](NC)c1cc(Br)cs1 ZINC000070599285 345392872 /nfs/dbraw/zinc/39/28/72/345392872.db2.gz ZTIYXTMGYVTLFA-SECBINFHSA-N 0 3 258.184 3.185 10 30 CGEEHN C=CCOc1cccc(CN2CCS[C@@H](C)C2)c1 ZINC000131344947 371100040 /nfs/dbraw/zinc/10/00/40/371100040.db2.gz OMMVZTIPNPNWBD-ZDUSSCGKSA-N 0 3 263.406 3.189 10 30 CGEEHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2n2cccn2)s1 ZINC000176980966 373645344 /nfs/dbraw/zinc/64/53/44/373645344.db2.gz AJQFHRUMUYJMRI-CABCVRRESA-N 0 3 286.404 3.090 10 30 CGEEHN O[C@@H]1CCCC[C@H]1[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000228490307 376438470 /nfs/dbraw/zinc/43/84/70/376438470.db2.gz XCXNMLNADKPSQI-GBESFXJTSA-N 0 3 283.415 3.054 10 30 CGEEHN N#Cc1cccc(NC(=O)CN2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000245392291 376803742 /nfs/dbraw/zinc/80/37/42/376803742.db2.gz ARDDCQJZQJOFCB-DOTOQJQBSA-N 0 3 297.402 3.151 10 30 CGEEHN C=CCC[C@H](O)CN1CCC[C@H](c2nc(CC)cs2)C1 ZINC000246038942 376956925 /nfs/dbraw/zinc/95/69/25/376956925.db2.gz RINSGQXGHHMJER-ZFWWWQNUSA-N 0 3 294.464 3.212 10 30 CGEEHN NCc1c(F)ccc(C(F)(F)F)c1C(F)(F)F ZINC000575379586 377891112 /nfs/dbraw/zinc/89/11/12/377891112.db2.gz CKNYSVIJVKTGKO-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN N#Cc1cc(Cl)ccc1NC(=N)NCc1ccccc1 ZINC000575523095 377916354 /nfs/dbraw/zinc/91/63/54/377916354.db2.gz GIHTYDJTTWLMPI-UHFFFAOYSA-N 0 3 284.750 3.348 10 30 CGEEHN CCN1CCC[C@H](Nc2cc(Cl)ccc2C#N)C1 ZINC000062785363 392133171 /nfs/dbraw/zinc/13/31/71/392133171.db2.gz HCKHPPVNGZOGIA-ZDUSSCGKSA-N 0 3 263.772 3.108 10 30 CGEEHN C[C@H](N[C@@H]1CCC[C@H]1C#N)C1CCC(F)(F)CC1 ZINC000354672728 262282168 /nfs/dbraw/zinc/28/21/68/262282168.db2.gz XQDCJSVUZCVWIF-WCFLWFBJSA-N 0 3 256.340 3.482 10 30 CGEEHN C#CCN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091264564 618629637 /nfs/dbraw/zinc/62/96/37/618629637.db2.gz HYCJHZMSHWQKTF-ZDUSSCGKSA-N 0 3 253.267 3.379 10 30 CGEEHN C=CCn1c(C)nc(C[C@@H](C)c2ccccc2)c1N ZINC000103500612 185846079 /nfs/dbraw/zinc/84/60/79/185846079.db2.gz LMWWJLDMNFFQTR-GFCCVEGCSA-N 0 3 255.365 3.306 10 30 CGEEHN CC(C)(C)N1CCOCC[C@@H]1c1cccc(C#N)c1 ZINC000616599952 348841595 /nfs/dbraw/zinc/84/15/95/348841595.db2.gz ZNFKCTNMOVRENW-OAHLLOKOSA-N 0 3 258.365 3.120 10 30 CGEEHN CC[C@@H](CSC)N[C@H](C)c1ccc(C#N)s1 ZINC000132472480 187629701 /nfs/dbraw/zinc/62/97/01/187629701.db2.gz PFUMRSZIVTYXAR-ZJUUUORDSA-N 0 3 254.424 3.412 10 30 CGEEHN CN(CCN(CC#N)C1CCCC1)Cc1ccc(F)cc1 ZINC000159766217 372177783 /nfs/dbraw/zinc/17/77/83/372177783.db2.gz CWHJGNIWMOYDQK-UHFFFAOYSA-N 0 3 289.398 3.026 10 30 CGEEHN C[C@@H]1CCCCN1CCNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328666500 374375156 /nfs/dbraw/zinc/37/51/56/374375156.db2.gz KIVBJRKFZCPIIK-KGLIPLIRSA-N 0 3 295.427 3.107 10 30 CGEEHN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2c2ccco2)cc1 ZINC000246004537 376952830 /nfs/dbraw/zinc/95/28/30/376952830.db2.gz KFVHVOUATKKOFU-HZPDHXFCSA-N 0 3 282.343 3.022 10 30 CGEEHN N#Cc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)o1 ZINC000093868164 165338402 /nfs/dbraw/zinc/33/84/02/165338402.db2.gz MDEOKJFKJZCJGQ-MAUKXSAKSA-N 0 3 296.370 3.239 10 30 CGEEHN CC[C@@H](C)Oc1ccc2cc(C#CCN)ccc2c1 ZINC000042477871 174755862 /nfs/dbraw/zinc/75/58/62/174755862.db2.gz KVHRVVXOTAQSJG-CYBMUJFWSA-N 0 3 253.345 3.327 10 30 CGEEHN C#CCOc1c(Cl)cc(CNC2CC2)cc1OCC ZINC000045945855 175387944 /nfs/dbraw/zinc/38/79/44/175387944.db2.gz LLMYVCHITVFZAY-UHFFFAOYSA-N 0 3 279.767 3.003 10 30 CGEEHN C#CCOc1c(CNCCCCC)cccc1OCC ZINC000045945734 175388112 /nfs/dbraw/zinc/38/81/12/175388112.db2.gz OJCFSQQRPVXTLW-UHFFFAOYSA-N 0 3 275.392 3.377 10 30 CGEEHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000070741345 264238292 /nfs/dbraw/zinc/23/82/92/264238292.db2.gz PQEDOWDQRJPSIV-KGLIPLIRSA-N 0 3 274.408 3.151 10 30 CGEEHN C=C[C@@H](CC(=O)N1CCCN(C2CC2)CC1)c1ccccc1 ZINC000179215986 329206011 /nfs/dbraw/zinc/20/60/11/329206011.db2.gz SJPUDIAFAVMEQP-INIZCTEOSA-N 0 3 298.430 3.043 10 30 CGEEHN N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222446232 333193856 /nfs/dbraw/zinc/19/38/56/333193856.db2.gz PNCDYZRTRBFVIV-QCNOEVLYSA-N 0 3 260.303 3.389 10 30 CGEEHN CN(C)C[C@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000093492210 535954319 /nfs/dbraw/zinc/95/43/19/535954319.db2.gz WNQZDKWPMFKRHC-INIZCTEOSA-N 0 3 285.416 3.012 10 30 CGEEHN N#CC(C(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccccn1 ZINC000076825131 640218958 /nfs/dbraw/zinc/21/89/58/640218958.db2.gz AHDBMUAMNMVGSG-ILXRZTDVSA-N 0 3 268.360 3.474 10 30 CGEEHN N#CC(C(=O)[C@H]1C[C@H]1C1CCCCC1)c1ccccn1 ZINC000246462431 640675538 /nfs/dbraw/zinc/67/55/38/640675538.db2.gz AHDBMUAMNMVGSG-KKUMJFAQSA-N 0 3 268.360 3.474 10 30 CGEEHN C[C@@H](C[C@@](C#N)(c1ccccc1)c1ccccn1)N(C)C ZINC000034629445 344940628 /nfs/dbraw/zinc/94/06/28/344940628.db2.gz KRAYOIGLBJNWHK-MAUKXSAKSA-N 0 3 279.387 3.231 10 30 CGEEHN CC#CC[C@H](NC)c1ccc(Br)s1 ZINC000070597902 345392672 /nfs/dbraw/zinc/39/26/72/345392672.db2.gz PSEHOOQDHJBTCX-QMMMGPOBSA-N 0 3 258.184 3.185 10 30 CGEEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@H]1CCCC[C@H]1C#N ZINC000389858203 346573363 /nfs/dbraw/zinc/57/33/63/346573363.db2.gz DCGGZQMSNMPLSN-BVBHFADKSA-N 0 3 297.446 3.179 10 30 CGEEHN C=C(CN(C)C)[C@H](O)c1ccc2c(c1)-c1ccccc1-2 ZINC000584624770 346696376 /nfs/dbraw/zinc/69/63/76/346696376.db2.gz PUIIJUVFISCZQU-SFHVURJKSA-N 0 3 265.356 3.485 10 30 CGEEHN N#C[C@H]1CCCC[C@H]1NCC1CCC(F)(F)CC1 ZINC000595692264 347338805 /nfs/dbraw/zinc/33/88/05/347338805.db2.gz VVWRSRYLHDMAQH-CHWSQXEVSA-N 0 3 256.340 3.484 10 30 CGEEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1cccc(C#N)c1 ZINC000610583141 348391143 /nfs/dbraw/zinc/39/11/43/348391143.db2.gz QTAXXKODHKGXQK-ZWKOTPCHSA-N 0 3 283.419 3.007 10 30 CGEEHN Cc1ccc([C@@H](C)NCCOc2ccccc2C#N)o1 ZINC000182577748 189328566 /nfs/dbraw/zinc/32/85/66/189328566.db2.gz RBAIHLSYKCFLQN-CYBMUJFWSA-N 0 3 270.332 3.189 10 30 CGEEHN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(CC)cc1 ZINC000126585548 542041033 /nfs/dbraw/zinc/04/10/33/542041033.db2.gz YVUIYVQNMMYLNY-OAHLLOKOSA-N 0 3 286.419 3.100 10 30 CGEEHN C[C@@H](COCc1ccccc1)NCc1ccc(C#N)s1 ZINC000176978584 392658039 /nfs/dbraw/zinc/65/80/39/392658039.db2.gz KOFUTTHTVOUQIW-ZDUSSCGKSA-N 0 3 286.400 3.315 10 30 CGEEHN CC1(C)[C@@H]2C[C@H]1[C@@](C)(NCc1ccccc1)/C(=N/O)C2 ZINC000004754437 170012053 /nfs/dbraw/zinc/01/20/53/170012053.db2.gz NBODKULVIICHAN-UDODVKIPSA-N 0 3 272.392 3.431 10 30 CGEEHN CC(C)c1ccc(C(C#N)C(=O)[C@H]2CCCO2)cc1 ZINC000037347951 173144004 /nfs/dbraw/zinc/14/40/04/173144004.db2.gz XDYRQZAQSKNUAU-HUUCEWRRSA-N 0 3 257.333 3.165 10 30 CGEEHN CC(C)CN1CCC[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000131413395 287379190 /nfs/dbraw/zinc/37/91/90/287379190.db2.gz WCQHJWVKINTXCX-CYBMUJFWSA-N 0 3 292.814 3.139 10 30 CGEEHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc2ccccc2c1 ZINC000132061855 264377621 /nfs/dbraw/zinc/37/76/21/264377621.db2.gz LGCATFBELQZOMZ-ZIAGYGMSSA-N 0 3 282.387 3.181 10 30 CGEEHN Cc1cccc([C@@H](C)NCc2ccnc(C#N)c2)c1 ZINC000160229052 346170320 /nfs/dbraw/zinc/17/03/20/346170320.db2.gz TZFBFDBVQHQVSI-CYBMUJFWSA-N 0 3 251.333 3.113 10 30 CGEEHN N#Cc1cccc([C@H]2COCCN(Cc3ccccc3)C2)c1 ZINC000616663217 348859768 /nfs/dbraw/zinc/85/97/68/348859768.db2.gz MOBFGDVTAGMSFI-LJQANCHMSA-N 0 3 292.382 3.174 10 30 CGEEHN N#Cc1c(Cl)nsc1N[C@H]1CCN(C2CCCC2)C1 ZINC000301412070 201000976 /nfs/dbraw/zinc/00/09/76/201000976.db2.gz YSLHYVWXLOCGCY-VIFPVBQESA-N 0 3 296.827 3.097 10 30 CGEEHN CC#CCN[C@@H](C)c1cc(Br)cs1 ZINC000226398167 376357899 /nfs/dbraw/zinc/35/78/99/376357899.db2.gz NJTPXJIWAHWROU-QMMMGPOBSA-N 0 3 258.184 3.185 10 30 CGEEHN NCc1cc(C(F)(F)F)c(F)cc1C(F)(F)F ZINC000575339886 377881143 /nfs/dbraw/zinc/88/11/43/377881143.db2.gz VRMNFHRNVNINPY-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN Cc1cnc([C@H](C)NC(=O)[C@H]2CCCN2C2CCCC2)o1 ZINC000329422289 542446983 /nfs/dbraw/zinc/44/69/83/542446983.db2.gz HLKWARQHGRKEKX-GXTWGEPZSA-N 0 3 291.395 3.408 10 30 CGEEHN CC(=N)Nc1ccc(Br)cc1Br ZINC000062987580 345242257 /nfs/dbraw/zinc/24/22/57/345242257.db2.gz LIZXGKSEKLKQPG-UHFFFAOYSA-N 0 3 291.974 3.220 10 30 CGEEHN C=C(C)C[C@H](N)c1ccc(Br)cc1OC ZINC000130989173 346062379 /nfs/dbraw/zinc/06/23/79/346062379.db2.gz KSGGQVIUJRACIU-NSHDSACASA-N 0 3 270.170 3.424 10 30 CGEEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1 ZINC000610583220 348391989 /nfs/dbraw/zinc/39/19/89/348391989.db2.gz TZMRNCKEHYEYCB-ZWKOTPCHSA-N 0 3 283.419 3.007 10 30 CGEEHN CCCCCCCc1cccc(N2CCNCC2)n1 ZINC000043649783 369256270 /nfs/dbraw/zinc/25/62/70/369256270.db2.gz WLEGURJZOPKGFU-UHFFFAOYSA-N 0 3 261.413 3.004 10 30 CGEEHN Fc1ccc(C#CCN[C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000128305384 370960156 /nfs/dbraw/zinc/96/01/56/370960156.db2.gz ULDKJMLOJFSWLY-ROUUACIJSA-N 0 3 297.377 3.147 10 30 CGEEHN C=CCO[C@@H]1CCN(c2ccnc3c(C)cccc23)C1 ZINC000302166995 373825295 /nfs/dbraw/zinc/82/52/95/373825295.db2.gz PCESANXOOXYDQN-CQSZACIVSA-N 0 3 268.360 3.325 10 30 CGEEHN CN(C)C=Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C ZINC000254401006 377705560 /nfs/dbraw/zinc/70/55/60/377705560.db2.gz SYKJYPYTDCYZGE-UHFFFAOYSA-N 0 3 290.436 3.001 10 30 CGEEHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000155219676 392540048 /nfs/dbraw/zinc/54/00/48/392540048.db2.gz JRWGOKXIIYZFJZ-HUUCEWRRSA-N 0 3 288.435 3.226 10 30 CGEEHN Cc1nccn1C[C@H]1CCCN1Cc1ccc(C#N)cc1C ZINC000186251320 392780655 /nfs/dbraw/zinc/78/06/55/392780655.db2.gz UKBCKWYVCIIQNC-GOSISDBHSA-N 0 3 294.402 3.036 10 30 CGEEHN N#Cc1ccccc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000020358833 171158085 /nfs/dbraw/zinc/15/80/85/171158085.db2.gz CRMXAMKSRUCLBL-KRWDZBQOSA-N 0 3 277.371 3.245 10 30 CGEEHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc2ccccc2c1 ZINC000132061447 264377539 /nfs/dbraw/zinc/37/75/39/264377539.db2.gz LGCATFBELQZOMZ-KGLIPLIRSA-N 0 3 282.387 3.181 10 30 CGEEHN C=CCN1CCC(NC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000183676970 329249507 /nfs/dbraw/zinc/24/95/07/329249507.db2.gz IDNLEQUPKWOPOU-GJZGRUSLSA-N 0 3 292.467 3.215 10 30 CGEEHN CC(C)CN(CCN(C)C)c1ccc(Cl)cc1C#N ZINC000052859744 519717037 /nfs/dbraw/zinc/71/70/37/519717037.db2.gz LDSMTBUBRSUVCV-UHFFFAOYSA-N 0 3 279.815 3.236 10 30 CGEEHN N#Cc1ccc(F)c(CNCCc2ccsc2)c1 ZINC000049181522 526638602 /nfs/dbraw/zinc/63/86/02/526638602.db2.gz AXYOINHRNMXDRV-UHFFFAOYSA-N 0 3 260.337 3.091 10 30 CGEEHN N#Cc1ncccc1CN1CCC[C@@H]1C1CCCC1 ZINC000061664552 526790358 /nfs/dbraw/zinc/79/03/58/526790358.db2.gz PZNXHEVGHUITJE-MRXNPFEDSA-N 0 3 255.365 3.108 10 30 CGEEHN N#Cc1ccccc1CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124631167 187146665 /nfs/dbraw/zinc/14/66/65/187146665.db2.gz KJCVYTARFHCOAA-KSZLIROESA-N 0 3 284.403 3.074 10 30 CGEEHN C=C(C)[C@H](N)c1ccc(OC)c(Br)c1 ZINC000131386820 346065013 /nfs/dbraw/zinc/06/50/13/346065013.db2.gz VSIXMKIDGMVUTL-NSHDSACASA-N 0 3 256.143 3.034 10 30 CGEEHN C(#CCN1CCCC1)CCC1SCCCS1 ZINC000148140944 346127623 /nfs/dbraw/zinc/12/76/23/346127623.db2.gz YNQHZALJQNBSGA-UHFFFAOYSA-N 0 3 255.452 3.062 10 30 CGEEHN CC(C#N)C(=O)c1cccc(Br)c1Cl ZINC000160400335 346170704 /nfs/dbraw/zinc/17/07/04/346170704.db2.gz TZHCWPJHSCLTHP-ZCFIWIBFSA-N 0 3 272.529 3.445 10 30 CGEEHN CC(C#N)C(=O)c1cccc(Br)c1Cl ZINC000160400197 346170843 /nfs/dbraw/zinc/17/08/43/346170843.db2.gz TZHCWPJHSCLTHP-LURJTMIESA-N 0 3 272.529 3.445 10 30 CGEEHN CC#CC[C@H](N)c1cccc(Br)c1F ZINC000232564172 346327176 /nfs/dbraw/zinc/32/71/76/346327176.db2.gz OPBSHHSNBPELAK-JTQLQIEISA-N 0 3 256.118 3.001 10 30 CGEEHN C#CC[C@H](N)c1cc(Cl)c(C)cc1Br ZINC000307444367 346462952 /nfs/dbraw/zinc/46/29/52/346462952.db2.gz OPUDHCRGYSHXII-NSHDSACASA-N 0 3 272.573 3.434 10 30 CGEEHN N#Cc1cc(C(F)(F)F)c(CN)cc1C(F)(F)F ZINC000514264545 346636528 /nfs/dbraw/zinc/63/65/28/346636528.db2.gz RNNMYZNAAOVAOV-UHFFFAOYSA-N 0 3 268.160 3.055 10 30 CGEEHN N#Cc1cccc([C@@H]2COCCN(Cc3ccccc3)C2)c1 ZINC000616597953 348840725 /nfs/dbraw/zinc/84/07/25/348840725.db2.gz MOBFGDVTAGMSFI-IBGZPJMESA-N 0 3 292.382 3.174 10 30 CGEEHN N#Cc1ccccc1CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253091987 283214380 /nfs/dbraw/zinc/21/43/80/283214380.db2.gz KJCVYTARFHCOAA-KZNAEPCWSA-N 0 3 284.403 3.074 10 30 CGEEHN C[C@H](c1cccc(C#N)c1)N1CCC(Cn2cccn2)CC1 ZINC000187684172 375071087 /nfs/dbraw/zinc/07/10/87/375071087.db2.gz INWQCPHTGUJFLU-OAHLLOKOSA-N 0 3 294.402 3.228 10 30 CGEEHN C[C@@H](c1cccc(C#N)c1)N1CCC(Cn2cccn2)CC1 ZINC000187684155 375071178 /nfs/dbraw/zinc/07/11/78/375071178.db2.gz INWQCPHTGUJFLU-HNNXBMFYSA-N 0 3 294.402 3.228 10 30 CGEEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCC(C)(C)C#N ZINC000245408958 376809448 /nfs/dbraw/zinc/80/94/48/376809448.db2.gz JWQKHSIJACUMLR-ZNMIVQPWSA-N 0 3 292.423 3.122 10 30 CGEEHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000249093052 377461340 /nfs/dbraw/zinc/46/13/40/377461340.db2.gz DUXCOVRXKHKESB-KBXCAEBGSA-N 0 3 293.370 3.168 10 30 CGEEHN Cc1cnn([C@@H]2CCCN(Cc3ccc(C#N)cc3C)C2)c1 ZINC000186218430 392778176 /nfs/dbraw/zinc/77/81/76/392778176.db2.gz BENOXKAVDBSQKN-GOSISDBHSA-N 0 3 294.402 3.209 10 30 CGEEHN Cc1cnn([C@H]2CCCN(Cc3ccc(C#N)cc3C)C2)c1 ZINC000186218407 392778881 /nfs/dbraw/zinc/77/88/81/392778881.db2.gz BENOXKAVDBSQKN-SFHVURJKSA-N 0 3 294.402 3.209 10 30 CGEEHN CN1CC[C@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000201810788 392980871 /nfs/dbraw/zinc/98/08/71/392980871.db2.gz IXQWBAYDINYJKA-SFHVURJKSA-N 0 3 276.383 3.448 10 30 CGEEHN CC(C)c1ccc(C(C#N)C(=O)[C@@H]2CCCO2)cc1 ZINC000037347949 173144267 /nfs/dbraw/zinc/14/42/67/173144267.db2.gz XDYRQZAQSKNUAU-GJZGRUSLSA-N 0 3 257.333 3.165 10 30 CGEEHN CSc1nc2c(c(-c3ccccc3)c1C#N)CN(C)CC2 ZINC000040570066 174338614 /nfs/dbraw/zinc/33/86/14/174338614.db2.gz SPAHMFVFXLHEAI-UHFFFAOYSA-N 0 3 295.411 3.330 10 30 CGEEHN COc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1OC ZINC000299670788 263251646 /nfs/dbraw/zinc/25/16/46/263251646.db2.gz MGCZYLKOCWEMGN-VXGBXAGGSA-N 0 3 262.353 3.047 10 30 CGEEHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCc3c(O)cccc32)C1 ZINC000248990186 334323973 /nfs/dbraw/zinc/32/39/73/334323973.db2.gz NEMJNRQCUGRKRH-XJKCOSOUSA-N 0 3 270.376 3.442 10 30 CGEEHN CC(C)N[C@@H](C#N)CCN1CCC(C(C)(C)C)CC1 ZINC000062438666 519733694 /nfs/dbraw/zinc/73/36/94/519733694.db2.gz QIPAJUDMNIGLCH-OAHLLOKOSA-N 0 3 265.445 3.025 10 30 CGEEHN C[C@@H]([C@@H]1CO1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038328404 344955886 /nfs/dbraw/zinc/95/58/86/344955886.db2.gz QGFXKSJBQYKAPR-YJBOKZPZSA-N 0 3 267.372 3.476 10 30 CGEEHN CC(C#N)C(=O)c1cc(Br)ccc1Cl ZINC000037288051 344948973 /nfs/dbraw/zinc/94/89/73/344948973.db2.gz NTSYPXVBMDKHCH-ZCFIWIBFSA-N 0 3 272.529 3.445 10 30 CGEEHN C#CC[C@H](N)c1cc(Br)ccc1Cl ZINC000168564311 346191374 /nfs/dbraw/zinc/19/13/74/346191374.db2.gz QLKBDXIKGGZAST-JTQLQIEISA-N 0 3 258.546 3.126 10 30 CGEEHN N#Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1CN ZINC000514264546 346636380 /nfs/dbraw/zinc/63/63/80/346636380.db2.gz RUSCMXDDIKJBNN-UHFFFAOYSA-N 0 3 268.160 3.055 10 30 CGEEHN CCOC1CCC(N[C@H]2CCCC[C@@H]2C#N)CC1 ZINC000597194928 347549046 /nfs/dbraw/zinc/54/90/46/347549046.db2.gz BDXVMHVWLBFCTJ-URGYJCLVSA-N 0 3 250.386 3.006 10 30 CGEEHN Cc1ccc([C@H](C)NCCOc2cccc(C#N)c2)o1 ZINC000182563064 189327619 /nfs/dbraw/zinc/32/76/19/189327619.db2.gz OJIFFMBAOHORSZ-ZDUSSCGKSA-N 0 3 270.332 3.189 10 30 CGEEHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccc(Br)c1 ZINC000381348249 542597111 /nfs/dbraw/zinc/59/71/11/542597111.db2.gz ZREVVWBIACNXRE-GXFFZTMASA-N 0 3 284.197 3.037 10 30 CGEEHN CC#CCCN1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000155333452 392540865 /nfs/dbraw/zinc/54/08/65/392540865.db2.gz PNXBUZFZCVITOH-CYBMUJFWSA-N 0 3 262.422 3.298 10 30 CGEEHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc2ccccc2c1 ZINC000132061268 264377441 /nfs/dbraw/zinc/37/74/41/264377441.db2.gz LGCATFBELQZOMZ-KBPBESRZSA-N 0 3 282.387 3.181 10 30 CGEEHN O=CCCN(Cc1ccccc1)Cc1ccccc1 ZINC000062540514 527140194 /nfs/dbraw/zinc/14/01/94/527140194.db2.gz STUXBYXSDGVJSY-UHFFFAOYSA-N 0 3 253.345 3.278 10 30 CGEEHN C=C(F)C1(CC(=O)OC)CCN(Cc2ccccc2)CC1 ZINC000725260220 567917145 /nfs/dbraw/zinc/91/71/45/567917145.db2.gz PIPPRWKNCXDYGL-UHFFFAOYSA-N 0 3 291.366 3.315 10 30 CGEEHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000152399358 346141350 /nfs/dbraw/zinc/14/13/50/346141350.db2.gz MZJFFOWALINYLD-KDOFPFPSSA-N 0 3 293.370 3.168 10 30 CGEEHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246694693 346363652 /nfs/dbraw/zinc/36/36/52/346363652.db2.gz MZJFFOWALINYLD-RDTXWAMCSA-N 0 3 293.370 3.168 10 30 CGEEHN N#Cc1cc(CN[C@@H]2CCCC[C@@H]2n2cccn2)ccc1F ZINC000128446526 138393680 /nfs/dbraw/zinc/39/36/80/138393680.db2.gz LUMVRDBVAPBZHZ-SJORKVTESA-N 0 3 298.365 3.167 10 30 CGEEHN N#CCCCN1CCC(Nc2ccccc2F)CC1 ZINC000129029544 370972023 /nfs/dbraw/zinc/97/20/23/370972023.db2.gz CGAVHWFJGUJOHL-UHFFFAOYSA-N 0 3 261.344 3.006 10 30 CGEEHN CCN1CCC[C@@H](Nc2ccc3cc(C#N)ccc3n2)C1 ZINC000180422400 374002347 /nfs/dbraw/zinc/00/23/47/374002347.db2.gz GYFGVICSHALEMW-OAHLLOKOSA-N 0 3 280.375 3.003 10 30 CGEEHN CCCCCCCC(=O)N1CCCN(C2CC2)CC1 ZINC000149012396 392480626 /nfs/dbraw/zinc/48/06/26/392480626.db2.gz BLPIWALNJABALX-UHFFFAOYSA-N 0 3 266.429 3.044 10 30 CGEEHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cccs1 ZINC000192588259 392854270 /nfs/dbraw/zinc/85/42/70/392854270.db2.gz SPDRJTYJJBRSFQ-QWHCGFSZSA-N 0 3 280.437 3.212 10 30 CGEEHN N#Cc1cccc(N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000020595853 171264546 /nfs/dbraw/zinc/26/45/46/171264546.db2.gz NVSRFPROIGIDCH-GOSISDBHSA-N 0 3 277.371 3.245 10 30 CGEEHN C#CCOc1c(CNC2CCCC2)cccc1OCC ZINC000045945614 175387843 /nfs/dbraw/zinc/38/78/43/175387843.db2.gz ZUWNJIVQFGHZFB-UHFFFAOYSA-N 0 3 273.376 3.130 10 30 CGEEHN C=CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000111257247 262258616 /nfs/dbraw/zinc/25/86/16/262258616.db2.gz AMXZJQUJCWPGSQ-GJZGRUSLSA-N 0 3 286.419 3.150 10 30 CGEEHN C=CCCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000076801869 264344114 /nfs/dbraw/zinc/34/41/14/264344114.db2.gz ZFTRXKCGMOKVRB-GJZGRUSLSA-N 0 3 274.408 3.150 10 30 CGEEHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1 ZINC000132061667 264377511 /nfs/dbraw/zinc/37/75/11/264377511.db2.gz LGCATFBELQZOMZ-UONOGXRCSA-N 0 3 282.387 3.181 10 30 CGEEHN N#CCSCCCN1CC=C(c2cccs2)CC1 ZINC000080628966 330144944 /nfs/dbraw/zinc/14/49/44/330144944.db2.gz XJCBPQCKRCWYKJ-UHFFFAOYSA-N 0 3 278.446 3.484 10 30 CGEEHN N#CC(C(=O)[C@H]1CCCOC1)c1ccc(F)cc1Cl ZINC000062610778 526493623 /nfs/dbraw/zinc/49/36/23/526493623.db2.gz GOZWDGQLTZDCAL-JOYOIKCWSA-N 0 3 281.714 3.082 10 30 CGEEHN N#CC(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccccn1 ZINC000076825123 640218509 /nfs/dbraw/zinc/21/85/09/640218509.db2.gz AHDBMUAMNMVGSG-KFWWJZLASA-N 0 3 268.360 3.474 10 30 CGEEHN C[C@H](Cc1ccc(F)cc1)N[C@@H]1CCCC[C@H]1C#N ZINC000251023757 346387510 /nfs/dbraw/zinc/38/75/10/346387510.db2.gz ZUQWSBKMTJHZJJ-IVMMDQJWSA-N 0 3 260.356 3.429 10 30 CGEEHN CC(C)(C#N)CCN1CCC[C@H](c2nccs2)C1 ZINC000119923872 370723549 /nfs/dbraw/zinc/72/35/49/370723549.db2.gz WSLOMIQUZJODSY-LBPRGKRZSA-N 0 3 263.410 3.262 10 30 CGEEHN N#CC(C(=O)c1ccc(F)cc1Cl)c1ccccn1 ZINC000046440028 369294227 /nfs/dbraw/zinc/29/42/27/369294227.db2.gz LOKOXLBIJMFXJQ-LLVKDONJSA-N 0 3 274.682 3.364 10 30 CGEEHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2n2cccn2)s1 ZINC000176980941 373644839 /nfs/dbraw/zinc/64/48/39/373644839.db2.gz AJQFHRUMUYJMRI-GJZGRUSLSA-N 0 3 286.404 3.090 10 30 CGEEHN C=C(C)CN1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302815228 373971195 /nfs/dbraw/zinc/97/11/95/373971195.db2.gz KMDPLDDWRHDVOM-UHFFFAOYSA-N 0 3 293.342 3.186 10 30 CGEEHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247990737 377253443 /nfs/dbraw/zinc/25/34/43/377253443.db2.gz JAJRBDXDEUWBFQ-QZTJIDSGSA-N 0 3 298.430 3.316 10 30 CGEEHN CCN1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 ZINC000049223554 392038997 /nfs/dbraw/zinc/03/89/97/392038997.db2.gz YKHSISOUWLEXQF-CYBMUJFWSA-N 0 3 297.324 3.473 10 30 CGEEHN Cc1ccc([C@@H](C)NCCC(=O)Nc2cccc(C#N)c2)o1 ZINC000192806578 392860444 /nfs/dbraw/zinc/86/04/44/392860444.db2.gz FGAFONYGBUTSIU-CYBMUJFWSA-N 0 3 297.358 3.139 10 30 CGEEHN CN1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000201810817 392980845 /nfs/dbraw/zinc/98/08/45/392980845.db2.gz IXQWBAYDINYJKA-GOSISDBHSA-N 0 3 276.383 3.448 10 30 CGEEHN COc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1OC ZINC000299670786 263251611 /nfs/dbraw/zinc/25/16/11/263251611.db2.gz MGCZYLKOCWEMGN-NWDGAFQWSA-N 0 3 262.353 3.047 10 30 CGEEHN Cc1csc(C2CCN(CCCCC#N)CC2)n1 ZINC000102400276 327226919 /nfs/dbraw/zinc/22/69/19/327226919.db2.gz GEDKVSNSGTVUMA-UHFFFAOYSA-N 0 3 263.410 3.325 10 30 CGEEHN C[C@H](CCc1ccc2c(c1)OCO2)N[C@H]1CCC[C@H]1C#N ZINC000251192293 334357897 /nfs/dbraw/zinc/35/78/97/334357897.db2.gz JHGFQJFTMPTFSU-SNPRPXQTSA-N 0 3 286.375 3.018 10 30 CGEEHN C[C@@H](C[C@](C#N)(c1ccccc1)c1ccccn1)N(C)C ZINC000034629447 344940752 /nfs/dbraw/zinc/94/07/52/344940752.db2.gz KRAYOIGLBJNWHK-YJBOKZPZSA-N 0 3 279.387 3.231 10 30 CGEEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1CCCC[C@@H]1C#N ZINC000389858207 346573735 /nfs/dbraw/zinc/57/37/35/346573735.db2.gz DCGGZQMSNMPLSN-OWYHZJEWSA-N 0 3 297.446 3.179 10 30 CGEEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1cccc(C#N)c1 ZINC000610583138 348391057 /nfs/dbraw/zinc/39/10/57/348391057.db2.gz QTAXXKODHKGXQK-MSOLQXFVSA-N 0 3 283.419 3.007 10 30 CGEEHN N#Cc1ccc(F)c(CN[C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000127884194 138391572 /nfs/dbraw/zinc/39/15/72/138391572.db2.gz RPFRGUREMKFQAW-IRXDYDNUSA-N 0 3 298.365 3.167 10 30 CGEEHN C=CCC[C@@H](O)CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000131033060 371078535 /nfs/dbraw/zinc/07/85/35/371078535.db2.gz NYUAOKDQBCVUFB-HUUCEWRRSA-N 0 3 263.381 3.442 10 30 CGEEHN C[C@@H](COCc1ccccc1)NCc1cccc(C#N)c1 ZINC000174619971 373346763 /nfs/dbraw/zinc/34/67/63/373346763.db2.gz IDLRIGKOCJODFB-HNNXBMFYSA-N 0 3 280.371 3.253 10 30 CGEEHN C[C@H](c1cccc(C#N)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000249407256 377499441 /nfs/dbraw/zinc/49/94/41/377499441.db2.gz WYJMPFMOSJBANW-JLSDUUJJSA-N 0 3 284.403 3.246 10 30 CGEEHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000070741348 264238115 /nfs/dbraw/zinc/23/81/15/264238115.db2.gz PQEDOWDQRJPSIV-ZIAGYGMSSA-N 0 3 274.408 3.151 10 30 CGEEHN C[C@@H](c1ccc(C#N)cc1)N1CCc2c(N)cccc2C1 ZINC000038032461 274276372 /nfs/dbraw/zinc/27/63/72/274276372.db2.gz WSFSWAWRDBOXCM-ZDUSSCGKSA-N 0 3 277.371 3.260 10 30 CGEEHN C[C@H](CN1CCCC1)Nc1cc(Cl)ccc1C#N ZINC000062785393 524318523 /nfs/dbraw/zinc/31/85/23/524318523.db2.gz LOCFIHCLDFXEMT-LLVKDONJSA-N 0 3 263.772 3.108 10 30 CGEEHN Cc1ccc(C(C#N)C(=O)[C@H]2CCCCO2)cc1C ZINC000061682054 525872053 /nfs/dbraw/zinc/87/20/53/525872053.db2.gz DDEGZYUTCPQFEP-LSDHHAIUSA-N 0 3 257.333 3.049 10 30 CGEEHN C#CC[C@@H](NC)c1ccc(Cl)c(Br)c1 ZINC000126800948 346026738 /nfs/dbraw/zinc/02/67/38/346026738.db2.gz LLNSTHHLSGPJET-LLVKDONJSA-N 0 3 272.573 3.386 10 30 CGEEHN C=C(Br)CN[C@H]1CSCC(C)(C)C1 ZINC000168227395 346190299 /nfs/dbraw/zinc/19/02/99/346190299.db2.gz NKOMYIXWNLKCJX-SECBINFHSA-N 0 3 264.232 3.016 10 30 CGEEHN N#C[C@@H]1CCCC[C@H]1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000380901896 346557712 /nfs/dbraw/zinc/55/77/12/346557712.db2.gz RWBXJZGYGQVVHR-GBESFXJTSA-N 0 3 297.446 3.323 10 30 CGEEHN N#CCCNCCCNc1ccnc2cc(Cl)ccc21 ZINC000584651261 346704982 /nfs/dbraw/zinc/70/49/82/346704982.db2.gz MGWTXZUMNJFLQK-UHFFFAOYSA-N 0 3 288.782 3.193 10 30 CGEEHN Fc1cccc(Cl)c1CO/N=C1\CN2CCC1CC2 ZINC000584653483 346705018 /nfs/dbraw/zinc/70/50/18/346705018.db2.gz QWAVFFHHJSIVAE-SAPNQHFASA-N 0 3 282.746 3.077 10 30 CGEEHN N#Cc1ccc(F)c(CN[C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000127883935 138391356 /nfs/dbraw/zinc/39/13/56/138391356.db2.gz RPFRGUREMKFQAW-DLBZAZTESA-N 0 3 298.365 3.167 10 30 CGEEHN C[C@H]1CN(Cc2cccc(OCCCC#N)c2)CCS1 ZINC000131346676 371100381 /nfs/dbraw/zinc/10/03/81/371100381.db2.gz RWGQOHMJIVKLRS-AWEZNQCLSA-N 0 3 290.432 3.306 10 30 CGEEHN CN(C)C[C@@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000135673552 371442804 /nfs/dbraw/zinc/44/28/04/371442804.db2.gz XOVVNDYRHUUWQK-MRXNPFEDSA-N 0 3 285.416 3.012 10 30 CGEEHN CC#CCCN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000156792821 371995065 /nfs/dbraw/zinc/99/50/65/371995065.db2.gz WPERHZMZIKGNIX-MRXNPFEDSA-N 0 3 273.351 3.276 10 30 CGEEHN CSCC1CCC(N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000385388648 336145110 /nfs/dbraw/zinc/14/51/10/336145110.db2.gz RPWOPKBGXITXBA-FKZOYECMSA-N 0 3 252.427 3.190 10 30 CGEEHN C[C@@H](N)c1nc2ccc(F)cc2n1-c1cccc(C#N)c1 ZINC000142612895 346111807 /nfs/dbraw/zinc/11/18/07/346111807.db2.gz KMZWAKMTRVCLLA-SNVBAGLBSA-N 0 3 280.306 3.056 10 30 CGEEHN C=C(C)[C@H](N)c1cccc(C)c1I ZINC000232564843 346327320 /nfs/dbraw/zinc/32/73/20/346327320.db2.gz QYPLWSGQZNGDFW-NSHDSACASA-N 0 3 287.144 3.176 10 30 CGEEHN CC[C@H](N)C#Cc1c(Cl)cccc1Br ZINC000307383725 346462321 /nfs/dbraw/zinc/46/23/21/346462321.db2.gz DDTZHZMIJRQLLR-QMMMGPOBSA-N 0 3 272.573 3.191 10 30 CGEEHN CCN1CC[C@@H]([C@](C#N)(c2ccccc2)c2cccnc2)C1 ZINC000584633492 346699723 /nfs/dbraw/zinc/69/97/23/346699723.db2.gz NDMOYDOOJSHJCQ-RTBURBONSA-N 0 3 291.398 3.233 10 30 CGEEHN N#C[C@@H]1CCCC[C@@H]1NCC1CCC(F)(F)CC1 ZINC000595692267 347339072 /nfs/dbraw/zinc/33/90/72/347339072.db2.gz VVWRSRYLHDMAQH-STQMWFEESA-N 0 3 256.340 3.484 10 30 CGEEHN CC(C)(C)N1CCCO[C@H](c2ccccc2C#N)C1 ZINC000616650102 348855611 /nfs/dbraw/zinc/85/56/11/348855611.db2.gz SYSJSIZPJUEVCT-HNNXBMFYSA-N 0 3 258.365 3.120 10 30 CGEEHN N#Cc1csc(CN[C@H]2CCc3ccccc32)c1 ZINC000093492220 138346013 /nfs/dbraw/zinc/34/60/13/138346013.db2.gz VQMYXUWNVQWXLD-HNNXBMFYSA-N 0 3 254.358 3.397 10 30 CGEEHN C=CCOc1cccc(CN2CCS[C@H](C)C2)c1 ZINC000131344728 371100444 /nfs/dbraw/zinc/10/04/44/371100444.db2.gz OMMVZTIPNPNWBD-CYBMUJFWSA-N 0 3 263.406 3.189 10 30 CGEEHN N#Cc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)o1 ZINC000093868165 165338305 /nfs/dbraw/zinc/33/83/05/165338305.db2.gz MDEOKJFKJZCJGQ-YJBOKZPZSA-N 0 3 296.370 3.239 10 30 CGEEHN CCCN(CCC)C(=O)C(C#N)Cc1ccccc1 ZINC000044809045 175257632 /nfs/dbraw/zinc/25/76/32/175257632.db2.gz GMZOQPAJCZXWQO-OAHLLOKOSA-N 0 3 258.365 3.017 10 30 CGEEHN C#CCCOc1ccc(CN2CCS[C@H](C)C2)cc1 ZINC000131379460 636647356 /nfs/dbraw/zinc/64/73/56/636647356.db2.gz VLDBLADTXXMZBJ-CQSZACIVSA-N 0 3 275.417 3.026 10 30 CGEEHN CC(C)C(C#N)C(=O)c1ccc(Br)o1 ZINC000041045650 344966848 /nfs/dbraw/zinc/96/68/48/344966848.db2.gz ZLBWHDJNRFYAPF-ZETCQYMHSA-N 0 3 256.099 3.021 10 30 CGEEHN C#C[C@H](NCC)c1ccc(C)c(Br)c1 ZINC000130132230 346054412 /nfs/dbraw/zinc/05/44/12/346054412.db2.gz AIRXRMHPEWLLDU-LBPRGKRZSA-N 0 3 252.155 3.041 10 30 CGEEHN C=C(C)[C@@H](NC)c1ccc(F)c(Br)c1 ZINC000169238441 346192064 /nfs/dbraw/zinc/19/20/64/346192064.db2.gz PNCQPYSMPGVAIO-LLVKDONJSA-N 0 3 258.134 3.425 10 30 CGEEHN C=CCC[C@@H](N)c1cc(Br)ccc1OC ZINC000308793309 346467979 /nfs/dbraw/zinc/46/79/79/346467979.db2.gz DODBBOXIWFRPIQ-LLVKDONJSA-N 0 3 270.170 3.424 10 30 CGEEHN N#C[C@@H]1CCCC[C@H]1NC[C@@H]1CCCCC1(F)F ZINC000390957712 346575298 /nfs/dbraw/zinc/57/52/98/346575298.db2.gz ZHIAGABMGFIPSV-RWMBFGLXSA-N 0 3 256.340 3.484 10 30 CGEEHN CCN1CC[C@H]([C@](C#N)(c2ccccc2)c2cccnc2)C1 ZINC000584633491 346699695 /nfs/dbraw/zinc/69/96/95/346699695.db2.gz NDMOYDOOJSHJCQ-RBUKOAKNSA-N 0 3 291.398 3.233 10 30 CGEEHN C=CCN1CCc2c(OC)ccc3c2[C@H](CCC3)C1 ZINC000027715740 368875032 /nfs/dbraw/zinc/87/50/32/368875032.db2.gz COCSDYVMAKAKDD-CQSZACIVSA-N 0 3 257.377 3.159 10 30 CGEEHN C=CCN1CCc2c(OC)ccc3c2[C@@H](CCC3)C1 ZINC000027715745 368875800 /nfs/dbraw/zinc/87/58/00/368875800.db2.gz COCSDYVMAKAKDD-AWEZNQCLSA-N 0 3 257.377 3.159 10 30 CGEEHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000118396049 370613393 /nfs/dbraw/zinc/61/33/93/370613393.db2.gz UZZZIWHFDNGSAB-ZDUSSCGKSA-N 0 3 280.375 3.222 10 30 CGEEHN CC#CCN[C@H](C)c1cc(Br)cs1 ZINC000226398174 376357462 /nfs/dbraw/zinc/35/74/62/376357462.db2.gz NJTPXJIWAHWROU-MRVPVSSYSA-N 0 3 258.184 3.185 10 30 CGEEHN N#Cc1ccc(NC(=O)CN2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000245398420 376805722 /nfs/dbraw/zinc/80/57/22/376805722.db2.gz SOKUBVRAZYQGAB-NVXWUHKLSA-N 0 3 297.402 3.151 10 30 CGEEHN NCc1cc(C(F)(F)F)cc(F)c1C(F)(F)F ZINC000575339529 377881127 /nfs/dbraw/zinc/88/11/27/377881127.db2.gz AQRBIWTVUBOIHZ-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN C#CCN1CCC(Nc2ccc3sccc3c2)CC1 ZINC000037282564 173089840 /nfs/dbraw/zinc/08/98/40/173089840.db2.gz SKIYBJHKSAGAKZ-UHFFFAOYSA-N 0 3 270.401 3.411 10 30 CGEEHN COc1ccc(CC[C@H](C)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061892104 333475015 /nfs/dbraw/zinc/47/50/15/333475015.db2.gz KXQOGAOAOONXPU-LXZKKBNFSA-N 0 3 272.392 3.298 10 30 CGEEHN CCCN[C@@H](C)c1cc(Br)ccc1OCC#N ZINC000052067736 519987132 /nfs/dbraw/zinc/98/71/32/519987132.db2.gz VCYORNLRAXNBHR-JTQLQIEISA-N 0 3 297.196 3.412 10 30 CGEEHN N#C[C@H]1CCCCC[C@H]1NCCc1cccc(F)c1 ZINC000054825289 526512549 /nfs/dbraw/zinc/51/25/49/526512549.db2.gz MAVMVWSRBDZCQQ-GDBMZVCRSA-N 0 3 260.356 3.430 10 30 CGEEHN CCCN(CCCC#N)[C@H]1COc2cccc(OC)c2C1 ZINC000038439448 344955449 /nfs/dbraw/zinc/95/54/49/344955449.db2.gz PLWMDFQAPMAHKM-CQSZACIVSA-N 0 3 288.391 3.014 10 30 CGEEHN N#C[C@@H]1CCCC[C@H]1NC1CCN(Cc2ccccc2)CC1 ZINC000309539125 346469590 /nfs/dbraw/zinc/46/95/90/346469590.db2.gz KGMIJMIKOGTRDO-PKOBYXMFSA-N 0 3 297.446 3.323 10 30 CGEEHN N#Cc1cccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000246599369 138535793 /nfs/dbraw/zinc/53/57/93/138535793.db2.gz MMQXKNXPMKYQPI-IAGOWNOFSA-N 0 3 296.370 3.239 10 30 CGEEHN CN1CCC(C#N)(c2ccc3ccccc3c2)CC1 ZINC000013610041 368658716 /nfs/dbraw/zinc/65/87/16/368658716.db2.gz BMDGJYAVKVPSJT-UHFFFAOYSA-N 0 3 250.345 3.327 10 30 CGEEHN CN(C)CCC(C#N)(CCN(C)C)c1ccc(Cl)cc1 ZINC000059106363 369578419 /nfs/dbraw/zinc/57/84/19/369578419.db2.gz WHQXETBOFLTSJG-UHFFFAOYSA-N 0 3 293.842 3.005 10 30 in-vitro CGEEHN C=CCC[C@@H](O)CN1CCCC[C@H]1c1ccc(C)o1 ZINC000131032821 371078865 /nfs/dbraw/zinc/07/88/65/371078865.db2.gz NYUAOKDQBCVUFB-CABCVRRESA-N 0 3 263.381 3.442 10 30 CGEEHN CCN1CCCC[C@@H]1CNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328652119 374372442 /nfs/dbraw/zinc/37/24/42/374372442.db2.gz JXJIIFULVSUHQF-ZIAGYGMSSA-N 0 3 295.427 3.107 10 30 CGEEHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2n2cccn2)cc1F ZINC000192204383 375712644 /nfs/dbraw/zinc/71/26/44/375712644.db2.gz RCISECUVJZGISH-IRXDYDNUSA-N 0 3 298.365 3.167 10 30 CGEEHN O[C@@H]1CCCC[C@H]1[C@H]1CCCN1CC#Cc1ccccc1 ZINC000253101243 377676141 /nfs/dbraw/zinc/67/61/41/377676141.db2.gz XCXNMLNADKPSQI-IPMKNSEASA-N 0 3 283.415 3.054 10 30 CGEEHN N#Cc1cc(CN)cc(C(F)(F)F)c1C(F)(F)F ZINC000575341025 377882515 /nfs/dbraw/zinc/88/25/15/377882515.db2.gz JWWNUYJPDSFWSD-UHFFFAOYSA-N 0 3 268.160 3.055 10 30 CGEEHN Cc1cnn([C@@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000246403161 393057952 /nfs/dbraw/zinc/05/79/52/393057952.db2.gz PKTWQXFABGTYHM-CRAIPNDOSA-N 0 3 294.402 3.461 10 30 CGEEHN C#CCNCc1ccc(OCc2ccccc2C)cc1 ZINC000045945374 175388089 /nfs/dbraw/zinc/38/80/89/175388089.db2.gz XSGGRLDXCLRKMU-UHFFFAOYSA-N 0 3 265.356 3.297 10 30 CGEEHN C=CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000111257241 262258196 /nfs/dbraw/zinc/25/81/96/262258196.db2.gz AMXZJQUJCWPGSQ-LSDHHAIUSA-N 0 3 286.419 3.150 10 30 CGEEHN C=C(CC)CN(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757133190 617758925 /nfs/dbraw/zinc/75/89/25/617758925.db2.gz HHOXRDMRNODVJE-UHFFFAOYSA-N 0 3 291.395 3.248 10 30 CGEEHN C=C(C)[C@H](N)c1c(F)cc(Br)cc1F ZINC000131493621 346066279 /nfs/dbraw/zinc/06/62/79/346066279.db2.gz WTEHKDLLXGKJSI-JTQLQIEISA-N 0 3 262.097 3.303 10 30 CGEEHN [O-]/[N+](=C\c1ccccc1)Cc1ccccc1Br ZINC000225441681 346304158 /nfs/dbraw/zinc/30/41/58/346304158.db2.gz POXRJWOTPWMQOU-YBEGLDIGSA-N 0 3 291.168 3.470 10 30 CGEEHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000249093053 377460304 /nfs/dbraw/zinc/46/03/04/377460304.db2.gz DUXCOVRXKHKESB-RDTXWAMCSA-N 0 3 293.370 3.168 10 30 CGEEHN N#CC1(c2ccc(Cl)c(Cl)c2)CCNCC1 ZINC000071576396 176204201 /nfs/dbraw/zinc/20/42/01/176204201.db2.gz FWKNIJDPJHUWCQ-UHFFFAOYSA-N 0 3 255.148 3.138 10 30 CGEEHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccccc1C ZINC000119231042 416500517 /nfs/dbraw/zinc/50/05/17/416500517.db2.gz ZQNJGWQAROLPPX-CVEARBPZSA-N 0 3 288.435 3.459 10 30 CGEEHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000070741350 264237859 /nfs/dbraw/zinc/23/78/59/264237859.db2.gz PQEDOWDQRJPSIV-UONOGXRCSA-N 0 3 274.408 3.151 10 30 CGEEHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccccc1C ZINC000119312148 267321687 /nfs/dbraw/zinc/32/16/87/267321687.db2.gz CJZAMEYEAFPIII-JKSUJKDBSA-N 0 3 286.419 3.235 10 30 CGEEHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000079308989 640392896 /nfs/dbraw/zinc/39/28/96/640392896.db2.gz IDUSWBSVQDPQBO-UONOGXRCSA-N 0 3 288.435 3.325 10 30 CGEEHN C#CCN1CC[C@](CCC)(c2cccc(OC)c2)C1 ZINC000033864850 344936621 /nfs/dbraw/zinc/93/66/21/344936621.db2.gz YDRJTYWSYJJAPR-KRWDZBQOSA-N 0 3 257.377 3.072 10 30 CGEEHN C=C(C)[C@H](N)c1ccc(F)cc1I ZINC000232564723 346327312 /nfs/dbraw/zinc/32/73/12/346327312.db2.gz OLGDJOVDHUEUNB-JTQLQIEISA-N 0 3 291.107 3.006 10 30 CGEEHN CCCCCCCCN1CCN2C(=O)N(CC)CC[C@H]2C1 ZINC000584640021 346702170 /nfs/dbraw/zinc/70/21/70/346702170.db2.gz CMZVBDIZJOBXPR-INIZCTEOSA-N 0 3 295.471 3.179 10 30 CGEEHN FC(F)(F)c1ccc(CO/N=C2\CN3CCC2CC3)cc1 ZINC000584661868 346706639 /nfs/dbraw/zinc/70/66/39/346706639.db2.gz RIPLSCFWYGGUOB-XMHGGMMESA-N 0 3 298.308 3.304 10 30 CGEEHN CC(C)(C)N1CCOCC[C@H]1c1ccc(C#N)cc1 ZINC000616599402 348841627 /nfs/dbraw/zinc/84/16/27/348841627.db2.gz YSCYPWGKTKFRSO-HNNXBMFYSA-N 0 3 258.365 3.120 10 30 CGEEHN C[C@@H](COCc1ccccc1)NCc1ccc(C#N)cc1 ZINC000174619776 188909741 /nfs/dbraw/zinc/90/97/41/188909741.db2.gz DHIBWGQUZQFOLQ-HNNXBMFYSA-N 0 3 280.371 3.253 10 30 CGEEHN CCc1nccn1[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000171613469 372796225 /nfs/dbraw/zinc/79/62/25/372796225.db2.gz HBELICOODZNNHJ-QGZVFWFLSA-N 0 3 294.402 3.154 10 30 CGEEHN O[C@@H]1CCCC[C@@H]1[C@H]1CCCN1CC#Cc1ccccc1 ZINC000253101242 285312436 /nfs/dbraw/zinc/31/24/36/285312436.db2.gz XCXNMLNADKPSQI-GUDVDZBRSA-N 0 3 283.415 3.054 10 30 CGEEHN C=C(C)[C@H](CO)N[C@H](C)c1cccc(Br)c1 ZINC000381348250 542597500 /nfs/dbraw/zinc/59/75/00/542597500.db2.gz ZREVVWBIACNXRE-MFKMUULPSA-N 0 3 284.197 3.037 10 30 CGEEHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247927096 393082610 /nfs/dbraw/zinc/08/26/10/393082610.db2.gz BRLMTXQAJKRLQF-OLMNPRSZSA-N 0 3 284.403 3.246 10 30 CGEEHN C=CCSCCN[C@H](C)c1c(C)nn(CC)c1C ZINC000221937880 329215747 /nfs/dbraw/zinc/21/57/47/329215747.db2.gz BXGIKAYDOVNCHG-LLVKDONJSA-N 0 3 267.442 3.090 10 30 CGEEHN COc1ccc(CC[C@H](C)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061892102 333475095 /nfs/dbraw/zinc/47/50/95/333475095.db2.gz KXQOGAOAOONXPU-YSVLISHTSA-N 0 3 272.392 3.298 10 30 CGEEHN C[C@H](CNc1cc(Cl)ccc1C#N)N1CCCCC1 ZINC000062785344 524504725 /nfs/dbraw/zinc/50/47/25/524504725.db2.gz IBPCYCFIQWPUTA-GFCCVEGCSA-N 0 3 277.799 3.498 10 30 CGEEHN N#C[C@@H]1CCCCC[C@@H]1NCCc1cccc(F)c1 ZINC000054825292 526498114 /nfs/dbraw/zinc/49/81/14/526498114.db2.gz MAVMVWSRBDZCQQ-HOCLYGCPSA-N 0 3 260.356 3.430 10 30 CGEEHN C#CC[C@@H](N)c1ccc(Cl)cc1Br ZINC000236316064 346339536 /nfs/dbraw/zinc/33/95/36/346339536.db2.gz XBWXWYACWDRXGB-SNVBAGLBSA-N 0 3 258.546 3.126 10 30 CGEEHN C=C[C@H](N)c1cc(Br)sc1Br ZINC000236300500 346339589 /nfs/dbraw/zinc/33/95/89/346339589.db2.gz ONIYAYGOLAKAOZ-YFKPBYRVSA-N 0 3 297.015 3.459 10 30 CGEEHN N#C[C@@H]1CCCC[C@@H]1N[C@H]1CCc2ccccc2C1 ZINC000250862133 346386621 /nfs/dbraw/zinc/38/66/21/346386621.db2.gz UAWXLLCOPVTIQG-ULQDDVLXSA-N 0 3 254.377 3.216 10 30 CGEEHN N#C[C@H]1CCCC[C@@H]1NC1CCN(Cc2ccccc2)CC1 ZINC000309539123 346469315 /nfs/dbraw/zinc/46/93/15/346469315.db2.gz KGMIJMIKOGTRDO-MJGOQNOKSA-N 0 3 297.446 3.323 10 30 CGEEHN C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCS1 ZINC000135188531 260918185 /nfs/dbraw/zinc/91/81/85/260918185.db2.gz ANIZPIZXFVGNLN-ZDUSSCGKSA-N 0 3 274.433 3.425 10 30 CGEEHN N#C[C@H]1CCC[C@@H]1NC1CC(c2ccc(F)cc2)C1 ZINC000061891935 369611028 /nfs/dbraw/zinc/61/10/28/369611028.db2.gz JOMVIQGAWBQJER-XCAIRMDXSA-N 0 3 258.340 3.354 10 30 CGEEHN C[C@H](c1cccc(C#N)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000249407252 377498363 /nfs/dbraw/zinc/49/83/63/377498363.db2.gz WYJMPFMOSJBANW-FHLIZLRMSA-N 0 3 284.403 3.246 10 30 CGEEHN CC(C)(C(=O)c1ccccc1)/[N+]([O-])=C/c1ccc(F)cc1 ZINC000575234042 377764115 /nfs/dbraw/zinc/76/41/15/377764115.db2.gz HQUFJNISHJJRQF-UNOMPAQXSA-N 0 3 286.326 3.308 10 30 CGEEHN CC(C)(C#N)CCCN1CCCC[C@H]1c1cn[nH]c1 ZINC000174862394 392646903 /nfs/dbraw/zinc/64/69/03/392646903.db2.gz WBGBHPFFRSVLBA-AWEZNQCLSA-N 0 3 260.385 3.267 10 30 CGEEHN C=CC[C@@H](C(=O)N1CCCN(C2CC2)CC1)c1ccccc1 ZINC000188814490 329373564 /nfs/dbraw/zinc/37/35/64/329373564.db2.gz ZMQLAKBPJJHMMD-GOSISDBHSA-N 0 3 298.430 3.043 10 30 CGEEHN C=CCCOCc1cc(CNCC(C)C)oc1C ZINC000052599695 518703415 /nfs/dbraw/zinc/70/34/15/518703415.db2.gz YLLDYQXJOLTFCV-UHFFFAOYSA-N 0 3 251.370 3.426 10 30 CGEEHN CCCCCCCN1CCCC[C@H]1c1nnc[nH]1 ZINC000182740557 619039768 /nfs/dbraw/zinc/03/97/68/619039768.db2.gz LDTVULREYWZMIK-ZDUSSCGKSA-N 0 3 250.390 3.302 10 30 CGEEHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000079308988 640392440 /nfs/dbraw/zinc/39/24/40/640392440.db2.gz IDUSWBSVQDPQBO-KGLIPLIRSA-N 0 3 288.435 3.325 10 30 CGEEHN CC(C)(C)[N+](=O)C=C([O-])c1cc(Cl)c(N)c(Cl)c1 ZINC000048533859 345067657 /nfs/dbraw/zinc/06/76/57/345067657.db2.gz PVSVFRFQTOJTFA-SOFYXZRVSA-N 0 3 289.162 3.138 10 30 CGEEHN CC(C)(C)[N+]([O-])=CC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000048533859 345067659 /nfs/dbraw/zinc/06/76/59/345067659.db2.gz PVSVFRFQTOJTFA-SOFYXZRVSA-N 0 3 289.162 3.138 10 30 CGEEHN C#CC(C)(C)NCc1cc(Br)cs1 ZINC000069680139 345383273 /nfs/dbraw/zinc/38/32/73/345383273.db2.gz ZSVJPXHCAMNARG-UHFFFAOYSA-N 0 3 258.184 3.012 10 30 CGEEHN CC#CC[C@@H](N)c1c(F)cccc1Br ZINC000165153346 346183814 /nfs/dbraw/zinc/18/38/14/346183814.db2.gz RGHXYLNPTPBINP-SNVBAGLBSA-N 0 3 256.118 3.001 10 30 CGEEHN N#C[C@@H]1CCCC[C@H]1N[C@H]1CCc2ccccc2C1 ZINC000250862137 346386660 /nfs/dbraw/zinc/38/66/60/346386660.db2.gz UAWXLLCOPVTIQG-YESZJQIVSA-N 0 3 254.377 3.216 10 30 CGEEHN CO[C@H](CN[C@H]1CCCC[C@H]1C#N)C1CCCCC1 ZINC000595692402 347338874 /nfs/dbraw/zinc/33/88/74/347338874.db2.gz XDMNKRULXPLOHW-HRCADAONSA-N 0 3 264.413 3.254 10 30 CGEEHN C=CCC[C@@H](O)CN1CCC[C@H](c2nc(CC)cs2)C1 ZINC000124986321 370929312 /nfs/dbraw/zinc/92/93/12/370929312.db2.gz RINSGQXGHHMJER-DZGCQCFKSA-N 0 3 294.464 3.212 10 30 CGEEHN Cc1ccnc(N[C@@H](C)CN(C)Cc2ccccc2)c1C#N ZINC000309862579 374201278 /nfs/dbraw/zinc/20/12/78/374201278.db2.gz DQYPLEMUCOFETH-HNNXBMFYSA-N 0 3 294.402 3.194 10 30 CGEEHN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245957895 376945113 /nfs/dbraw/zinc/94/51/13/376945113.db2.gz CHWCQJHDWLYOHT-MDASCCDHSA-N 0 3 292.382 3.285 10 30 CGEEHN C=CCC[C@H](O)CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000247434829 377204774 /nfs/dbraw/zinc/20/47/74/377204774.db2.gz NYUAOKDQBCVUFB-LSDHHAIUSA-N 0 3 263.381 3.442 10 30 CGEEHN C=C[C@@H](N)c1scc(Br)c1Br ZINC000575594262 377919681 /nfs/dbraw/zinc/91/96/81/377919681.db2.gz FXELACWBRYJNGS-RXMQYKEDSA-N 0 3 297.015 3.459 10 30 CGEEHN Cc1cnn([C@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000118398578 392392946 /nfs/dbraw/zinc/39/29/46/392392946.db2.gz PKTWQXFABGTYHM-YJBOKZPZSA-N 0 3 294.402 3.461 10 30 CGEEHN C=C(C)C[C@H]([NH3+])c1cc([O-])ccc1Br ZINC000307088039 397680360 /nfs/dbraw/zinc/68/03/60/397680360.db2.gz MCYOPQAQBJROKB-NSHDSACASA-N 0 3 256.143 3.121 10 30 CGEEHN C#CCOc1ccc2ccccc2c1CNC1CC1 ZINC000037486611 173230322 /nfs/dbraw/zinc/23/03/22/173230322.db2.gz GEYNECOYYNGCHU-UHFFFAOYSA-N 0 3 251.329 3.104 10 30 CGEEHN CCOC(=O)C(C#N)Cc1ccc(Cl)cc1Cl ZINC000040544832 174324109 /nfs/dbraw/zinc/32/41/09/174324109.db2.gz VIDKMJVFYHMDPT-VIFPVBQESA-N 0 3 272.131 3.239 10 30 CGEEHN CCOC(=O)C(C#N)Cc1cccc(Cl)c1Cl ZINC000074468351 176566367 /nfs/dbraw/zinc/56/63/67/176566367.db2.gz GSOAUIULIQZAHG-SECBINFHSA-N 0 3 272.131 3.239 10 30 CGEEHN Fc1ccc(C#CCN[C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000128305817 264288811 /nfs/dbraw/zinc/28/88/11/264288811.db2.gz ULDKJMLOJFSWLY-MSOLQXFVSA-N 0 3 297.377 3.147 10 30 CGEEHN C[C@H](c1ccc(C#N)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247927090 278306648 /nfs/dbraw/zinc/30/66/48/278306648.db2.gz BRLMTXQAJKRLQF-FHLIZLRMSA-N 0 3 284.403 3.246 10 30 CGEEHN C(#Cc1ccccc1)CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000192204301 329432304 /nfs/dbraw/zinc/43/23/04/329432304.db2.gz RMDPVEMXMHOTHW-MSOLQXFVSA-N 0 3 279.387 3.008 10 30 CGEEHN CNCc1cc(Cl)ccc1OCCCCC#N ZINC000049578231 522112559 /nfs/dbraw/zinc/11/25/59/522112559.db2.gz SQAKEDGVVQNVMR-UHFFFAOYSA-N 0 3 252.745 3.132 10 30 CGEEHN C=CCN(CC=C)Cc1cc(CNC2CC2)oc1C ZINC000052376718 518771366 /nfs/dbraw/zinc/77/13/66/518771366.db2.gz WCVDMFACFOERHO-UHFFFAOYSA-N 0 3 260.381 3.014 10 30 CGEEHN CC[C@H](C)SCc1ccc(F)c(C#CCN)c1 ZINC000049611223 521783585 /nfs/dbraw/zinc/78/35/85/521783585.db2.gz CBRPOEDVVVIYMT-NSHDSACASA-N 0 3 251.370 3.168 10 30 CGEEHN Cc1csc(SCc2ccccc2C#CCN)n1 ZINC000049611429 526399134 /nfs/dbraw/zinc/39/91/34/526399134.db2.gz SLHOCLTUADMCJP-UHFFFAOYSA-N 0 3 274.414 3.054 10 30 CGEEHN CC#CC[C@H](NC)c1cc(Br)cs1 ZINC000070599284 345392407 /nfs/dbraw/zinc/39/24/07/345392407.db2.gz ZTIYXTMGYVTLFA-VIFPVBQESA-N 0 3 258.184 3.185 10 30 CGEEHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000135143519 346086403 /nfs/dbraw/zinc/08/64/03/346086403.db2.gz XWMCGRNLVWAAOE-NEPJUHHUSA-N 0 3 272.270 3.362 10 30 CGEEHN C=C[C@@H](CCOCCC)NCCOc1ccccc1OC ZINC000584620621 346695872 /nfs/dbraw/zinc/69/58/72/346695872.db2.gz YSHSCQSPLLJNFF-HNNXBMFYSA-N 0 3 293.407 3.035 10 30 CGEEHN N#Cc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1 ZINC000026477839 368859896 /nfs/dbraw/zinc/85/98/96/368859896.db2.gz GXUHQPSKNQPPHR-QGZVFWFLSA-N 0 3 273.339 3.275 10 30 CGEEHN C=C(C)CN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000252652224 377644333 /nfs/dbraw/zinc/64/43/33/377644333.db2.gz IWCLSPYLJFLBDO-CHWSQXEVSA-N 0 3 251.395 3.212 10 30 CGEEHN N#Cc1ccccc1CN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253092088 131140219 /nfs/dbraw/zinc/14/02/19/131140219.db2.gz KJCVYTARFHCOAA-RCCFBDPRSA-N 0 3 284.403 3.074 10 30 CGEEHN CCCCCCCCC(=O)N1CCCN(C2CC2)CC1 ZINC000149012200 392480491 /nfs/dbraw/zinc/48/04/91/392480491.db2.gz DZDWULJNRXSRJC-UHFFFAOYSA-N 0 3 280.456 3.434 10 30 CGEEHN Cc1ccc([C@H](C)NCCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000192806531 392860478 /nfs/dbraw/zinc/86/04/78/392860478.db2.gz CDRPQOGGCNJPJG-ZDUSSCGKSA-N 0 3 297.358 3.139 10 30 CGEEHN COc1ccc(CSC(C)(C)C)cc1C#CCN ZINC000049611228 524121311 /nfs/dbraw/zinc/12/13/11/524121311.db2.gz JNTOUVRRLDFXMZ-UHFFFAOYSA-N 0 3 263.406 3.037 10 30 CGEEHN N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2ccccc2C1 ZINC000226616983 346307104 /nfs/dbraw/zinc/30/71/04/346307104.db2.gz UAWXLLCOPVTIQG-BBWFWOEESA-N 0 3 254.377 3.216 10 30 CGEEHN C=C(C)C[C@@H](N)c1c(F)c(F)c(F)c(F)c1F ZINC000229735871 346318251 /nfs/dbraw/zinc/31/82/51/346318251.db2.gz ASWUEXUJBIMJFJ-RXMQYKEDSA-N 0 3 251.198 3.348 10 30 CGEEHN CCO[C@@H]1C[C@H](N[C@H]2CCC[C@H]2C#N)C12CCCC2 ZINC000250536600 346385916 /nfs/dbraw/zinc/38/59/16/346385916.db2.gz TYYJGBSTOGCXAQ-ZQDZILKHSA-N 0 3 262.397 3.006 10 30 CGEEHN C#CC[C@@H](N)c1cc(Cl)c(C)cc1Br ZINC000307444363 346462961 /nfs/dbraw/zinc/46/29/61/346462961.db2.gz OPUDHCRGYSHXII-LLVKDONJSA-N 0 3 272.573 3.434 10 30 CGEEHN CC(C)(C)N1CCCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000616653410 348857158 /nfs/dbraw/zinc/85/71/58/348857158.db2.gz OANHHIKDQYOIPM-OAHLLOKOSA-N 0 3 258.365 3.120 10 30 CGEEHN CN1CC[C@@H](CNC(=O)C[C@@H]2C=CCC2)[C@@H]1c1cccnc1 ZINC000328625567 374371737 /nfs/dbraw/zinc/37/17/37/374371737.db2.gz KWQHVSARVNERLI-HFTRVMKXSA-N 0 3 299.418 3.387 10 30 CGEEHN C[C@@H]1CCCCN1CCNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328666501 374375713 /nfs/dbraw/zinc/37/57/13/374375713.db2.gz KIVBJRKFZCPIIK-ZIAGYGMSSA-N 0 3 295.427 3.107 10 30 CGEEHN C(#Cc1ccccc1)CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000192204307 375712100 /nfs/dbraw/zinc/71/21/00/375712100.db2.gz RMDPVEMXMHOTHW-ROUUACIJSA-N 0 3 279.387 3.008 10 30 CGEEHN C=CCC[C@H](O)CN[C@H](C)c1ccccc1Br ZINC000181572251 542219871 /nfs/dbraw/zinc/21/98/71/542219871.db2.gz OVSIXEFCXNMFLU-NEPJUHHUSA-N 0 3 298.224 3.427 10 30 CGEEHN C[C@H](COCc1ccccc1)NCc1cc(C#N)cs1 ZINC000177707470 392667448 /nfs/dbraw/zinc/66/74/48/392667448.db2.gz KMVROAKAVTWEEJ-CYBMUJFWSA-N 0 3 286.400 3.315 10 30 CGEEHN C[C@@H](COCc1ccccc1)NCc1cc(C#N)cs1 ZINC000177707456 392667761 /nfs/dbraw/zinc/66/77/61/392667761.db2.gz KMVROAKAVTWEEJ-ZDUSSCGKSA-N 0 3 286.400 3.315 10 30 CGEEHN CC(C)(C#N)CCN1CCC(c2nccs2)CC1 ZINC000363472498 260319951 /nfs/dbraw/zinc/31/99/51/260319951.db2.gz QXQZHIMYKROHDP-UHFFFAOYSA-N 0 3 263.410 3.262 10 30 CGEEHN C=CCC[C@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000249282580 261250367 /nfs/dbraw/zinc/25/03/67/261250367.db2.gz QNXTYJIJPDWMOR-ROUUACIJSA-N 0 3 298.430 3.043 10 30 CGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000330254973 290022281 /nfs/dbraw/zinc/02/22/81/290022281.db2.gz JTGBSHZKCMXVSQ-BHQQPIICSA-N 0 3 294.439 3.067 10 30 CGEEHN CCCCSCc1cc(C#CCN)ccc1OC ZINC000049611524 520957177 /nfs/dbraw/zinc/95/71/77/520957177.db2.gz YXJUDECZDIJKIZ-UHFFFAOYSA-N 0 3 263.406 3.039 10 30 CGEEHN C#C[C@H](C)N[C@H]1CCc2c1cccc2Br ZINC000229406171 623129176 /nfs/dbraw/zinc/12/91/76/623129176.db2.gz BNNOIGXQUCFZIU-ZANVPECISA-N 0 3 264.166 3.048 10 30 CGEEHN C=C(C)[C@@H](N)c1c(F)cc(Br)cc1F ZINC000131493832 346066119 /nfs/dbraw/zinc/06/61/19/346066119.db2.gz WTEHKDLLXGKJSI-SNVBAGLBSA-N 0 3 262.097 3.303 10 30 CGEEHN C=CCC[C@@H](N)c1c(F)c(F)c(F)c(F)c1F ZINC000167770756 346188944 /nfs/dbraw/zinc/18/89/44/346188944.db2.gz DJGGZLMTZIWATL-RXMQYKEDSA-N 0 3 251.198 3.348 10 30 CGEEHN C=CCC[C@H](N)c1cc(Br)ccc1OC ZINC000308793310 346467592 /nfs/dbraw/zinc/46/75/92/346467592.db2.gz DODBBOXIWFRPIQ-NSHDSACASA-N 0 3 270.170 3.424 10 30 CGEEHN N#C[C@H]1CCCC[C@H]1NCCCOCc1ccccc1 ZINC000390049946 346573424 /nfs/dbraw/zinc/57/34/24/346573424.db2.gz GOKGSHJHTDCTEK-IAGOWNOFSA-N 0 3 272.392 3.265 10 30 CGEEHN CC(C)(C)N1CCCO[C@H](c2ccc(C#N)cc2)C1 ZINC000616649894 348855588 /nfs/dbraw/zinc/85/55/88/348855588.db2.gz OANHHIKDQYOIPM-HNNXBMFYSA-N 0 3 258.365 3.120 10 30 CGEEHN CCCCCCCCCCNC(=O)[C@H](N)CCC ZINC000106262379 186105965 /nfs/dbraw/zinc/10/59/65/186105965.db2.gz GEJOLMGSMXIOQZ-CQSZACIVSA-N 0 3 256.434 3.371 10 30 CGEEHN N#Cc1ccc(OCCN2CCC[C@H]2c2ccco2)cc1 ZINC000116294655 138365772 /nfs/dbraw/zinc/36/57/72/138365772.db2.gz MSPYMRTYKYGOPG-INIZCTEOSA-N 0 3 282.343 3.367 10 30 CGEEHN N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000127884436 138391420 /nfs/dbraw/zinc/39/14/20/138391420.db2.gz RPFRGUREMKFQAW-IAGOWNOFSA-N 0 3 298.365 3.167 10 30 CGEEHN CC(C)/C(CC(=O)C(C)(C)C)=N\[C@@H](C)CN(C)C ZINC000223358503 376252452 /nfs/dbraw/zinc/25/24/52/376252452.db2.gz JTEMWFWZGIEFDW-OFEBGVABSA-N 0 3 254.418 3.039 10 30 CGEEHN C[C@@H](/C(=N/O)c1ccccc1)/[N+]([O-])=C\C=C\c1ccccc1 ZINC000575418158 377906174 /nfs/dbraw/zinc/90/61/74/377906174.db2.gz OOHNGTLKJDDCAA-KSJKRJLHSA-O 0 3 295.362 3.439 10 30 CGEEHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCOc3ccccc32)C1 ZINC000248919284 329902521 /nfs/dbraw/zinc/90/25/21/329902521.db2.gz WLQSOQXBHVFFIJ-NFAWXSAZSA-N 0 3 256.349 3.182 10 30 CGEEHN N#C[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000250659638 334348033 /nfs/dbraw/zinc/34/80/33/334348033.db2.gz PNCDYZRTRBFVIV-USZNOCQGSA-N 0 3 260.303 3.389 10 30 CGEEHN COc1ccc(CC[C@H](C)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000251202317 334358186 /nfs/dbraw/zinc/35/81/86/334358186.db2.gz KXQOGAOAOONXPU-JLJPHGGASA-N 0 3 272.392 3.298 10 30 CGEEHN C=CCN(CC=C)c1cccc(CNCC(C)C)n1 ZINC000051398937 518773033 /nfs/dbraw/zinc/77/30/33/518773033.db2.gz GCBXZJFRIOEUPJ-UHFFFAOYSA-N 0 3 259.397 3.006 10 30 CGEEHN CC[C@@H](C)SCc1cc(C#CCN)ccc1OC ZINC000049611210 522274191 /nfs/dbraw/zinc/27/41/91/522274191.db2.gz WFPMCRAFPUZPGJ-GFCCVEGCSA-N 0 3 263.406 3.037 10 30 CGEEHN C[C@@H](CNc1cc(Cl)ccc1C#N)N1CCCCC1 ZINC000062785343 524752623 /nfs/dbraw/zinc/75/26/23/524752623.db2.gz IBPCYCFIQWPUTA-LBPRGKRZSA-N 0 3 277.799 3.498 10 30 CGEEHN N#CC(C(=O)[C@@H]1C[C@H]1C1CCCCC1)c1ccccn1 ZINC000246462450 640675093 /nfs/dbraw/zinc/67/50/93/640675093.db2.gz AHDBMUAMNMVGSG-ZNMIVQPWSA-N 0 3 268.360 3.474 10 30 CGEEHN C#C[C@H](NCC)c1ccc(Cl)c(Br)c1 ZINC000126831500 346027524 /nfs/dbraw/zinc/02/75/24/346027524.db2.gz ORJQKTFODQOXPV-NSHDSACASA-N 0 3 272.573 3.386 10 30 CGEEHN C=C(C)[C@@H](N)c1ccc(OC)c(Br)c1 ZINC000131387041 346064995 /nfs/dbraw/zinc/06/49/95/346064995.db2.gz VSIXMKIDGMVUTL-LLVKDONJSA-N 0 3 256.143 3.034 10 30 CGEEHN N#C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCCC1(F)F ZINC000390957710 346575123 /nfs/dbraw/zinc/57/51/23/346575123.db2.gz ZHIAGABMGFIPSV-AVGNSLFASA-N 0 3 256.340 3.484 10 30 CGEEHN N#Cc1cc(CN)c(C(F)(F)F)cc1C(F)(F)F ZINC000514264523 346636440 /nfs/dbraw/zinc/63/64/40/346636440.db2.gz CNDSCGIBDIJPAD-UHFFFAOYSA-N 0 3 268.160 3.055 10 30 CGEEHN CCCCCCCCCCNC(=O)[C@@H](N)C(C)C ZINC000106262372 186105993 /nfs/dbraw/zinc/10/59/93/186105993.db2.gz OLCKTNSFPSXPCK-AWEZNQCLSA-N 0 3 256.434 3.227 10 30 CGEEHN CN1CC[C@@H](CNC(=O)[C@H]2CC=CCC2)[C@@H]1c1cccnc1 ZINC000328633639 374371530 /nfs/dbraw/zinc/37/15/30/374371530.db2.gz SRWKXCYLKUNIQQ-XIRDDKMYSA-N 0 3 299.418 3.387 10 30 CGEEHN C=CCC[C@H](O)CN1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000246038937 376956051 /nfs/dbraw/zinc/95/60/51/376956051.db2.gz RINSGQXGHHMJER-HIFRSBDPSA-N 0 3 294.464 3.212 10 30 CGEEHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000187703087 392792077 /nfs/dbraw/zinc/79/20/77/392792077.db2.gz DUXCOVRXKHKESB-KSSFIOAISA-N 0 3 293.370 3.168 10 30 CGEEHN CCN(CC)CC#CCCC1SCCCS1 ZINC000013821681 170598973 /nfs/dbraw/zinc/59/89/73/170598973.db2.gz REPBQCKCPLNEAE-UHFFFAOYSA-N 0 3 257.468 3.308 10 30 CGEEHN N#Cc1cccc(N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000020595854 171264376 /nfs/dbraw/zinc/26/43/76/171264376.db2.gz NVSRFPROIGIDCH-SFHVURJKSA-N 0 3 277.371 3.245 10 30 CGEEHN Cc1ccccc1NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000330259122 228083032 /nfs/dbraw/zinc/08/30/32/228083032.db2.gz NCFAIELNSAUFTR-VBNZEHGJSA-N 0 3 288.391 3.129 10 30 CGEEHN N#C[C@@H]1CCC[C@@H]1NC1CCC2(CCOCC2)CC1 ZINC000334155363 260142888 /nfs/dbraw/zinc/14/28/88/260142888.db2.gz VCSHDVPXBDNADR-ZFWWWQNUSA-N 0 3 262.397 3.008 10 30 CGEEHN COc1ccc([C@H](C)N[C@H](C)CCC#N)cc1OC ZINC000299670785 263251546 /nfs/dbraw/zinc/25/15/46/263251546.db2.gz MGCZYLKOCWEMGN-NEPJUHHUSA-N 0 3 262.353 3.047 10 30 CGEEHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCc3c(O)cccc32)C1 ZINC000248990182 334324015 /nfs/dbraw/zinc/32/40/15/334324015.db2.gz NEMJNRQCUGRKRH-WWGRRREGSA-N 0 3 270.376 3.442 10 30 CGEEHN CC[C@H](C)SCc1ccc(OC)c(C#CCN)c1 ZINC000049611213 521782007 /nfs/dbraw/zinc/78/20/07/521782007.db2.gz DGLBKZGSCMHRTQ-LBPRGKRZSA-N 0 3 263.406 3.037 10 30 CGEEHN Cc1csc(SCc2cccc(C#CCN)c2)n1 ZINC000049611435 526399381 /nfs/dbraw/zinc/39/93/81/526399381.db2.gz PLNBBAGGIZKCRZ-UHFFFAOYSA-N 0 3 274.414 3.054 10 30 CGEEHN N#C[C@H]1CCCC[C@H]1NCCCOc1ccccc1 ZINC000054829578 526512598 /nfs/dbraw/zinc/51/25/98/526512598.db2.gz AKPCIRDISGRVRW-GDBMZVCRSA-N 0 3 258.365 3.127 10 30 CGEEHN CN(CCCN[C@@H]1CCCC[C@@H]1C#N)c1ccccc1 ZINC000054823353 345139220 /nfs/dbraw/zinc/13/92/20/345139220.db2.gz GPYWVWBDOQOABA-NVXWUHKLSA-N 0 3 271.408 3.185 10 30 CGEEHN C[C@H](N)c1nc2ccc(F)cc2n1-c1cccc(C#N)c1 ZINC000142613112 346111897 /nfs/dbraw/zinc/11/18/97/346111897.db2.gz KMZWAKMTRVCLLA-JTQLQIEISA-N 0 3 280.306 3.056 10 30 CGEEHN C#CC[C@H](N)c1cc(Cl)ccc1Br ZINC000236304962 346340096 /nfs/dbraw/zinc/34/00/96/346340096.db2.gz GXKLXDBBDFXQHC-JTQLQIEISA-N 0 3 258.546 3.126 10 30 CGEEHN Fc1ccc(CO/N=C2\CN3CCC2CC3)c(Cl)c1 ZINC000584661905 346706400 /nfs/dbraw/zinc/70/64/00/346706400.db2.gz ZFZKQJXCXWHPBQ-SAPNQHFASA-N 0 3 282.746 3.077 10 30 CGEEHN CC(C)(C)N1CCO[C@H](c2cccc(C#N)c2)CC1 ZINC000616593937 348839569 /nfs/dbraw/zinc/83/95/69/348839569.db2.gz MMNUZGALFNLREH-HNNXBMFYSA-N 0 3 258.365 3.120 10 30 CGEEHN Cc1ccc([C@@H](C)NCCOc2cccc(C#N)c2)o1 ZINC000182563044 189327704 /nfs/dbraw/zinc/32/77/04/189327704.db2.gz OJIFFMBAOHORSZ-CYBMUJFWSA-N 0 3 270.332 3.189 10 30 CGEEHN C=CCOc1cccc(CN2CCC(c3cc[nH]n3)CC2)c1 ZINC000128185186 370961195 /nfs/dbraw/zinc/96/11/95/370961195.db2.gz PEWCSKNLSBAYIQ-UHFFFAOYSA-N 0 3 297.402 3.354 10 30 CGEEHN C=CCN(CCCCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000102398954 261232802 /nfs/dbraw/zinc/23/28/02/261232802.db2.gz VOUPRXKUWUUMJP-UHFFFAOYSA-N 0 3 273.336 3.277 10 30 CGEEHN C=CCCCCCN(C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000132281958 371163687 /nfs/dbraw/zinc/16/36/87/371163687.db2.gz ZGZPFCWVBWUNRB-CVEARBPZSA-N 0 3 295.471 3.103 10 30 CGEEHN CCN1CCC[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000130953123 287367204 /nfs/dbraw/zinc/36/72/04/287367204.db2.gz RHMKTBOMNIAZGR-ZDUSSCGKSA-N 0 3 297.324 3.473 10 30 CGEEHN CC(C)(CCC#N)CN1CCC(Nc2nccs2)CC1 ZINC000189959225 329390755 /nfs/dbraw/zinc/39/07/55/329390755.db2.gz OCFGHTBTRFCSIF-UHFFFAOYSA-N 0 3 292.452 3.349 10 30 CGEEHN N#C[C@@H]1CCCC[C@@H]1NCCCOc1ccccc1 ZINC000054829585 526500204 /nfs/dbraw/zinc/50/02/04/526500204.db2.gz AKPCIRDISGRVRW-HOCLYGCPSA-N 0 3 258.365 3.127 10 30 CGEEHN C#CC(C)(C)NCc1ccc(Br)s1 ZINC000069678288 345383388 /nfs/dbraw/zinc/38/33/88/345383388.db2.gz DWYGRTFJIVDMEC-UHFFFAOYSA-N 0 3 258.184 3.012 10 30 CGEEHN C=C(C)[C@@H](NC)c1cccc(I)c1 ZINC000131441273 346065233 /nfs/dbraw/zinc/06/52/33/346065233.db2.gz JTSPIYJMNZMODD-LLVKDONJSA-N 0 3 287.144 3.128 10 30 CGEEHN N#C[C@@H]1CCCC[C@@H]1NC1CCN(Cc2ccccc2)CC1 ZINC000309539118 346469263 /nfs/dbraw/zinc/46/92/63/346469263.db2.gz KGMIJMIKOGTRDO-HKUYNNGSSA-N 0 3 297.446 3.323 10 30 CGEEHN N#Cc1c(C(F)(F)F)ccc(CN)c1C(F)(F)F ZINC000514264562 346636280 /nfs/dbraw/zinc/63/62/80/346636280.db2.gz NBHSYQWVAFLIQO-UHFFFAOYSA-N 0 3 268.160 3.055 10 30 CGEEHN CO[C@H](CN[C@@H]1CCCC[C@H]1C#N)C1CCCCC1 ZINC000595692399 347339093 /nfs/dbraw/zinc/33/90/93/347339093.db2.gz XDMNKRULXPLOHW-ARFHVFGLSA-N 0 3 264.413 3.254 10 30 CGEEHN N#CCSCCCN1CC=C(c2ccccc2)CC1 ZINC000074981514 369892390 /nfs/dbraw/zinc/89/23/90/369892390.db2.gz XRKQUUHSZRQJJG-UHFFFAOYSA-N 0 3 272.417 3.423 10 30 CGEEHN CCN1CCC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000049223546 392039433 /nfs/dbraw/zinc/03/94/33/392039433.db2.gz QCMPPSPSCMUBDG-CYBMUJFWSA-N 0 3 297.324 3.473 10 30 CGEEHN C[C@@H](COCc1ccccc1)NCc1ccc(C#N)c(F)c1 ZINC000404048553 392962537 /nfs/dbraw/zinc/96/25/37/392962537.db2.gz DJTKTXIHMWIOFZ-AWEZNQCLSA-N 0 3 298.361 3.392 10 30 CGEEHN C[C@H](N[C@H]1CCC[C@H]1C#N)C1CCC(F)(F)CC1 ZINC000354672716 290050094 /nfs/dbraw/zinc/05/00/94/290050094.db2.gz XQDCJSVUZCVWIF-DRZSPHRISA-N 0 3 256.340 3.482 10 30 CGEEHN CN1CCCC[C@@H]1CNc1cccc(Cl)c1C#N ZINC000052904563 523795584 /nfs/dbraw/zinc/79/55/84/523795584.db2.gz LXQPUDIMODPVIZ-LLVKDONJSA-N 0 3 263.772 3.108 10 30 CGEEHN C=C(Br)CN[C@@H]1CSCC(C)(C)C1 ZINC000168227293 346190323 /nfs/dbraw/zinc/19/03/23/346190323.db2.gz NKOMYIXWNLKCJX-VIFPVBQESA-N 0 3 264.232 3.016 10 30 CGEEHN C[C@]1(/[N+]([O-])=C/c2cccc(Cl)c2)CCCCC1=O ZINC000225398849 346304128 /nfs/dbraw/zinc/30/41/28/346304128.db2.gz QLURZQJPWPDGOY-FBKCMUNRSA-N 0 3 266.748 3.062 10 30 CGEEHN C=C[C@H](CCOCCC)NCCOc1ccccc1OC ZINC000584620632 346695929 /nfs/dbraw/zinc/69/59/29/346695929.db2.gz YSHSCQSPLLJNFF-OAHLLOKOSA-N 0 3 293.407 3.035 10 30 CGEEHN N#C[C@@H]1CCCC[C@H]1NCC1CCC(F)(F)CC1 ZINC000595692266 347339037 /nfs/dbraw/zinc/33/90/37/347339037.db2.gz VVWRSRYLHDMAQH-QWHCGFSZSA-N 0 3 256.340 3.484 10 30 CGEEHN CCN1CCC[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 ZINC000049223550 392038769 /nfs/dbraw/zinc/03/87/69/392038769.db2.gz YKHSISOUWLEXQF-ZDUSSCGKSA-N 0 3 297.324 3.473 10 30 CGEEHN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccncc1 ZINC000086036306 260206901 /nfs/dbraw/zinc/20/69/01/260206901.db2.gz DPXNFVKISCKMTC-RWBZWWBESA-N 0 3 277.371 3.356 10 30 CGEEHN C[C@H](N[C@H]1CCC[C@@H]1C#N)C1CCC(F)(F)CC1 ZINC000354672720 262282277 /nfs/dbraw/zinc/28/22/77/262282277.db2.gz XQDCJSVUZCVWIF-UHTWSYAYSA-N 0 3 256.340 3.482 10 30 CGEEHN N#CCSCCCN1CCC[C@@H]1c1ccco1 ZINC000173895170 329153352 /nfs/dbraw/zinc/15/33/52/329153352.db2.gz NXGKDVIGJIGILC-GFCCVEGCSA-N 0 3 250.367 3.063 10 30 CGEEHN C[C@H]1CN2CCCC[C@@H]2CN1CCCCC(C)(C)C#N ZINC000235696938 333371635 /nfs/dbraw/zinc/37/16/35/333371635.db2.gz GHEPZSUPOSPAOS-JKSUJKDBSA-N 0 3 277.456 3.265 10 30 CGEEHN COc1ccc(C#CCN)cc1CSC(C)(C)C ZINC000049611227 523517355 /nfs/dbraw/zinc/51/73/55/523517355.db2.gz MOMLTJOZFIJIOO-UHFFFAOYSA-N 0 3 263.406 3.037 10 30 CGEEHN CC[C@@H]1CCN1CCC(=O)Nc1sccc1C#N ZINC000330286589 529332784 /nfs/dbraw/zinc/33/27/84/529332784.db2.gz ZZRGKQWCWYHPNN-LLVKDONJSA-N 0 3 263.366 3.082 10 30 CGEEHN C[C@H](N[C@H]1CCCSC1)c1ccc(C#N)s1 ZINC000127442565 187306793 /nfs/dbraw/zinc/30/67/93/187306793.db2.gz ZKMVYOAARZVUAE-UWVGGRQHSA-N 0 3 252.408 3.166 10 30 CGEEHN C[C@@]1(/[N+]([O-])=C/c2cccc(Cl)c2)CCCCC1=O ZINC000225398896 346303875 /nfs/dbraw/zinc/30/38/75/346303875.db2.gz QLURZQJPWPDGOY-KWZJRMENSA-N 0 3 266.748 3.062 10 30 CGEEHN CC(C)(C(=O)c1cccs1)/[N+]([O-])=C/c1ccccc1 ZINC000225399130 346304096 /nfs/dbraw/zinc/30/40/96/346304096.db2.gz VZMDDXHVANIELO-WJDWOHSUSA-N 0 3 274.365 3.230 10 30 CGEEHN N#C[C@H]1CCCC[C@@H]1NCCCOCc1ccccc1 ZINC000390049948 346573269 /nfs/dbraw/zinc/57/32/69/346573269.db2.gz GOKGSHJHTDCTEK-SJORKVTESA-N 0 3 272.392 3.265 10 30 CGEEHN CC(C)(C)N1CCOCC[C@@H]1c1ccc(C#N)cc1 ZINC000616656695 348858169 /nfs/dbraw/zinc/85/81/69/348858169.db2.gz YSCYPWGKTKFRSO-OAHLLOKOSA-N 0 3 258.365 3.120 10 30 CGEEHN C=CCC[C@H](O)CN(CCOC)Cc1cc(C)ccc1C ZINC000036031341 369006544 /nfs/dbraw/zinc/00/65/44/369006544.db2.gz NLLNCSPLOAIQKQ-SFHVURJKSA-N 0 3 291.435 3.079 10 30 CGEEHN C#CCOc1ccc(Cl)cc1CNCC(C)C ZINC000045945783 369287699 /nfs/dbraw/zinc/28/76/99/369287699.db2.gz XSLKOTNIGXHHRT-UHFFFAOYSA-N 0 3 251.757 3.098 10 30 CGEEHN C[C@H](c1ccc(C#N)cc1)N1CCC(Cn2cccn2)CC1 ZINC000118398459 370613322 /nfs/dbraw/zinc/61/33/22/370613322.db2.gz UIYOUKOOBROVBK-OAHLLOKOSA-N 0 3 294.402 3.228 10 30 CGEEHN CCc1nccn1[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000171613476 372795895 /nfs/dbraw/zinc/79/58/95/372795895.db2.gz HBELICOODZNNHJ-KRWDZBQOSA-N 0 3 294.402 3.154 10 30 CGEEHN NCc1c(F)cc(C(F)(F)F)cc1C(F)(F)F ZINC000575339971 377880930 /nfs/dbraw/zinc/88/09/30/377880930.db2.gz ZZYNCNIUKFEDIN-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000155219571 392540002 /nfs/dbraw/zinc/54/00/02/392540002.db2.gz JRWGOKXIIYZFJZ-GJZGRUSLSA-N 0 3 288.435 3.226 10 30 CGEEHN C#CCNCc1ccc(Oc2ccc(OC)cc2)cc1 ZINC000072412538 176398964 /nfs/dbraw/zinc/39/89/64/176398964.db2.gz XEWNQIDHKPTGMI-UHFFFAOYSA-N 0 3 267.328 3.210 10 30 CGEEHN C[C@H](CN1CCCCCC1)NC(=O)c1conc1C1CC1 ZINC000329596515 278187540 /nfs/dbraw/zinc/18/75/40/278187540.db2.gz VUIMUBJZBGTXBW-GFCCVEGCSA-N 0 3 291.395 3.121 10 30 CGEEHN CC(C)(C)[N+](=O)C=C([O-])c1cc(Cl)c(N)c(Cl)c1 ZINC000261491628 328138638 /nfs/dbraw/zinc/13/86/38/328138638.db2.gz PVSVFRFQTOJTFA-OMCISZLKSA-N 0 3 289.162 3.138 10 30 CGEEHN CC(C)(C)[N+]([O-])=CC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000261491628 328138640 /nfs/dbraw/zinc/13/86/40/328138640.db2.gz PVSVFRFQTOJTFA-OMCISZLKSA-N 0 3 289.162 3.138 10 30 CGEEHN C=C[C@H](CC(=O)N1CCCN(C2CC2)CC1)c1ccccc1 ZINC000179215997 329206119 /nfs/dbraw/zinc/20/61/19/329206119.db2.gz SJPUDIAFAVMEQP-MRXNPFEDSA-N 0 3 298.430 3.043 10 30 CGEEHN C=CCSCCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000221937828 329215793 /nfs/dbraw/zinc/21/57/93/329215793.db2.gz BXGIKAYDOVNCHG-NSHDSACASA-N 0 3 267.442 3.090 10 30 CGEEHN N#C[C@@H]1CCC[C@H](N[C@H]2CCOc3ccccc32)C1 ZINC000248919283 329902548 /nfs/dbraw/zinc/90/25/48/329902548.db2.gz WLQSOQXBHVFFIJ-IPYPFGDCSA-N 0 3 256.349 3.182 10 30 CGEEHN C#CCOc1cccc(CNCc2ccc(C)cc2)c1 ZINC000045945920 330350049 /nfs/dbraw/zinc/35/00/49/330350049.db2.gz IBNNAPBRPUAMBA-UHFFFAOYSA-N 0 3 265.356 3.297 10 30 CGEEHN CC(C)N[C@H](C#N)CCN1CCC(C(C)(C)C)CC1 ZINC000062438664 519738058 /nfs/dbraw/zinc/73/80/58/519738058.db2.gz QIPAJUDMNIGLCH-HNNXBMFYSA-N 0 3 265.445 3.025 10 30 CGEEHN CC[C@H](C)SCc1ccc(F)cc1C#CCN ZINC000049611221 521781365 /nfs/dbraw/zinc/78/13/65/521781365.db2.gz ZOZWOCWQBIQLAB-NSHDSACASA-N 0 3 251.370 3.168 10 30 CGEEHN C=C[C@@H](C)Oc1ccc(Cl)cc1CNCCOC ZINC000062731095 519293294 /nfs/dbraw/zinc/29/32/94/519293294.db2.gz MHKPILRDYTWRBZ-LLVKDONJSA-N 0 3 269.772 3.029 10 30 CGEEHN CC[C@@H](C)SCc1ccc(OC)c(C#CCN)c1 ZINC000049611212 522274112 /nfs/dbraw/zinc/27/41/12/522274112.db2.gz DGLBKZGSCMHRTQ-GFCCVEGCSA-N 0 3 263.406 3.037 10 30 CGEEHN NCC#Cc1ccccc1CSc1cccs1 ZINC000049611185 527155415 /nfs/dbraw/zinc/15/54/15/527155415.db2.gz JOVAEBWHLZDYCB-UHFFFAOYSA-N 0 3 259.399 3.351 10 30 CGEEHN CCCCCCCN1CCCC[C@@H]1c1nnc[nH]1 ZINC000182740539 625027974 /nfs/dbraw/zinc/02/79/74/625027974.db2.gz LDTVULREYWZMIK-CYBMUJFWSA-N 0 3 250.390 3.302 10 30 CGEEHN CCc1ccc([C@@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000068752990 345361185 /nfs/dbraw/zinc/36/11/85/345361185.db2.gz BEQRSZHUKCOOKQ-CYBMUJFWSA-N 0 3 265.360 3.366 10 30 CGEEHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246694681 346363606 /nfs/dbraw/zinc/36/36/06/346363606.db2.gz MZJFFOWALINYLD-KBXCAEBGSA-N 0 3 293.370 3.168 10 30 CGEEHN C[C@H](Cc1ccc(F)cc1)N[C@H]1CCCC[C@H]1C#N ZINC000251023751 346387441 /nfs/dbraw/zinc/38/74/41/346387441.db2.gz ZUQWSBKMTJHZJJ-INWMFGNUSA-N 0 3 260.356 3.429 10 30 CGEEHN N#C[C@@H]1CCCC[C@@H]1NC[C@H]1CCCCC1(F)F ZINC000390957714 346574919 /nfs/dbraw/zinc/57/49/19/346574919.db2.gz ZHIAGABMGFIPSV-XQQFMLRXSA-N 0 3 256.340 3.484 10 30 CGEEHN CC(C)(C)N1CCCOC[C@@H]1c1ccc(C#N)cc1 ZINC000616598448 348840361 /nfs/dbraw/zinc/84/03/61/348840361.db2.gz AVRPIXUUPRNVIN-OAHLLOKOSA-N 0 3 258.365 3.120 10 30 CGEEHN N#Cc1cc(CN[C@@H]2CCCC[C@H]2n2cccn2)ccc1F ZINC000128446311 138393730 /nfs/dbraw/zinc/39/37/30/138393730.db2.gz LUMVRDBVAPBZHZ-IAGOWNOFSA-N 0 3 298.365 3.167 10 30 CGEEHN N#CC(C(=O)c1ccc(F)cc1Cl)c1ccccn1 ZINC000046440030 369294254 /nfs/dbraw/zinc/29/42/54/369294254.db2.gz LOKOXLBIJMFXJQ-NSHDSACASA-N 0 3 274.682 3.364 10 30 CGEEHN N#Cc1ccc(NC(=O)CN2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000171121741 372714593 /nfs/dbraw/zinc/71/45/93/372714593.db2.gz SOKUBVRAZYQGAB-WBVHZDCISA-N 0 3 297.402 3.151 10 30 CGEEHN C=CCC[C@H](O)CN1CCCC[C@H]1c1ccc(C)o1 ZINC000247434827 377205315 /nfs/dbraw/zinc/20/53/15/377205315.db2.gz NYUAOKDQBCVUFB-GJZGRUSLSA-N 0 3 263.381 3.442 10 30 CGEEHN C[C@H](COCc1ccccc1)NCc1ccc(C#N)s1 ZINC000176978603 392657875 /nfs/dbraw/zinc/65/78/75/392657875.db2.gz KOFUTTHTVOUQIW-CYBMUJFWSA-N 0 3 286.400 3.315 10 30 CGEEHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000187703101 392790910 /nfs/dbraw/zinc/79/09/10/392790910.db2.gz DUXCOVRXKHKESB-KDOFPFPSSA-N 0 3 293.370 3.168 10 30 CGEEHN CCn1cccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000091024050 165252148 /nfs/dbraw/zinc/25/21/48/165252148.db2.gz DTMWGMSGSZBBNL-CYBMUJFWSA-N 0 3 253.349 3.230 10 30 CGEEHN C#CCN1CCC(Nc2ccc(CCC)cc2)CC1 ZINC000037231342 173050203 /nfs/dbraw/zinc/05/02/03/173050203.db2.gz IAZAGMXWAXMOQN-UHFFFAOYSA-N 0 3 256.393 3.149 10 30 CGEEHN CC(C)(C#N)CCCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000232531415 333338159 /nfs/dbraw/zinc/33/81/59/333338159.db2.gz CQWJPTFYKTWAKC-GJZGRUSLSA-N 0 3 264.413 3.350 10 30 CGEEHN C=C(C)C[C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000184954547 518631398 /nfs/dbraw/zinc/63/13/98/518631398.db2.gz VWBLNZIMYXHDQY-ZBFHGGJFSA-N 0 3 274.408 3.008 10 30 CGEEHN C=C(Cl)COc1ccc(CNCCOC)cc1Cl ZINC000062730519 518650425 /nfs/dbraw/zinc/65/04/25/518650425.db2.gz YHZXHNABHLZAER-UHFFFAOYSA-N 0 3 290.190 3.207 10 30 CGEEHN C=C(C)C[C@@H](N)c1ccc(Br)cc1OC ZINC000130989371 346062701 /nfs/dbraw/zinc/06/27/01/346062701.db2.gz KSGGQVIUJRACIU-LLVKDONJSA-N 0 3 270.170 3.424 10 30 CGEEHN C=C[C@@H](N)c1cc(Cl)ccc1I ZINC000229298820 346316806 /nfs/dbraw/zinc/31/68/06/346316806.db2.gz MKKCPFQYTJBDCK-SECBINFHSA-N 0 3 293.535 3.130 10 30 CGEEHN CON=C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000584640831 346702904 /nfs/dbraw/zinc/70/29/04/346702904.db2.gz YJSQGBCWDJCIDY-IYBDPMFKSA-N 0 3 258.365 3.206 10 30 CGEEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1 ZINC000610583218 348391394 /nfs/dbraw/zinc/39/13/94/348391394.db2.gz TZMRNCKEHYEYCB-QZTJIDSGSA-N 0 3 283.419 3.007 10 30 CGEEHN C(#CCN1CCCCC1)CCC1SCCCS1 ZINC000013821687 368668320 /nfs/dbraw/zinc/66/83/20/368668320.db2.gz OEPPYMACGOOCIJ-UHFFFAOYSA-N 0 3 269.479 3.452 10 30 CGEEHN C[C@H](NCC1(O)CCCCCC1)c1ccc(C#N)s1 ZINC000134973498 371380882 /nfs/dbraw/zinc/38/08/82/371380882.db2.gz OEZDDYJZXHEDIM-LBPRGKRZSA-N 0 3 278.421 3.356 10 30 CGEEHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000187670712 375067436 /nfs/dbraw/zinc/06/74/36/375067436.db2.gz RUTOIFZRTHZSIF-ZDUSSCGKSA-N 0 3 280.375 3.222 10 30 CGEEHN NCc1ccc(C(F)(F)F)c(F)c1C(F)(F)F ZINC000575380545 377892519 /nfs/dbraw/zinc/89/25/19/377892519.db2.gz LIWYWQNPFBVLFF-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN Cn1cc([C@@H]2CCCN2CCCCC(C)(C)C#N)cn1 ZINC000277569558 379191381 /nfs/dbraw/zinc/19/13/81/379191381.db2.gz BFSZMIRCLFIBDO-HNNXBMFYSA-N 0 3 274.412 3.277 10 30 CGEEHN N#Cc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)o1 ZINC000093868166 165338564 /nfs/dbraw/zinc/33/85/64/165338564.db2.gz MDEOKJFKJZCJGQ-CRAIPNDOSA-N 0 3 296.370 3.239 10 30 CGEEHN CC(C)CNCc1cc(Cl)ccc1O[C@H](C)C#N ZINC000062730983 519746769 /nfs/dbraw/zinc/74/67/69/519746769.db2.gz QCHXLYZJCDECJR-LLVKDONJSA-N 0 3 266.772 3.376 10 30 CGEEHN N#C[C@@H]1CCCC[C@@H]1NCCCOCc1ccccc1 ZINC000390049947 346573372 /nfs/dbraw/zinc/57/33/72/346573372.db2.gz GOKGSHJHTDCTEK-IRXDYDNUSA-N 0 3 272.392 3.265 10 30 CGEEHN N#Cc1c(Cl)nsc1N[C@@H]1CCN(C2CCCC2)C1 ZINC000301412069 201001474 /nfs/dbraw/zinc/00/14/74/201001474.db2.gz YSLHYVWXLOCGCY-SECBINFHSA-N 0 3 296.827 3.097 10 30 CGEEHN C=CCC[C@@H](O)CN1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000124986067 370928995 /nfs/dbraw/zinc/92/89/95/370928995.db2.gz RINSGQXGHHMJER-UKRRQHHQSA-N 0 3 294.464 3.212 10 30 CGEEHN CN(C)C[C@@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000093492211 249037270 /nfs/dbraw/zinc/03/72/70/249037270.db2.gz WNQZDKWPMFKRHC-MRXNPFEDSA-N 0 3 285.416 3.012 10 30 CGEEHN C=C[C@H](N)c1scc(Br)c1Br ZINC000575594263 377919659 /nfs/dbraw/zinc/91/96/59/377919659.db2.gz FXELACWBRYJNGS-YFKPBYRVSA-N 0 3 297.015 3.459 10 30 CGEEHN N#Cc1ccc(CN2CCC[C@@H](c3nccs3)C2)cc1 ZINC000157014792 526612541 /nfs/dbraw/zinc/61/25/41/526612541.db2.gz LGCPVNLHQGSNRR-OAHLLOKOSA-N 0 3 283.400 3.394 10 30 CGEEHN C#C[C@@H](C)N[C@H]1CCc2c1cccc2Br ZINC000229406160 623128990 /nfs/dbraw/zinc/12/89/90/623128990.db2.gz BNNOIGXQUCFZIU-RNCFNFMXSA-N 0 3 264.166 3.048 10 30 CGEEHN N#Cc1ccc(CN[C@@H]2CCC[C@H]3C[C@H]32)c(Cl)c1 ZINC000592181276 346969399 /nfs/dbraw/zinc/96/93/99/346969399.db2.gz KVVFPRLWMMHQHI-NJZAAPMLSA-N 0 3 260.768 3.490 10 30 CGEEHN N#Cc1ccc(CN)c(C(F)(F)F)c1C(F)(F)F ZINC000514264557 346636187 /nfs/dbraw/zinc/63/61/87/346636187.db2.gz HEKQYVXFOKPHTQ-UHFFFAOYSA-N 0 3 268.160 3.055 10 30 CGEEHN C#CCOc1c(Cl)cc(Cl)cc1CNCC ZINC000037711421 369100188 /nfs/dbraw/zinc/10/01/88/369100188.db2.gz DAJKVSOZYHIBQL-UHFFFAOYSA-N 0 3 258.148 3.115 10 30 CGEEHN CCCCCCCCN1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000192009159 375687915 /nfs/dbraw/zinc/68/79/15/375687915.db2.gz KDWOESAFRQIABC-MRXNPFEDSA-N 0 3 298.471 3.218 10 30 CGEEHN CCCCCCCCN1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192009159 375687926 /nfs/dbraw/zinc/68/79/26/375687926.db2.gz KDWOESAFRQIABC-MRXNPFEDSA-N 0 3 298.471 3.218 10 30 CGEEHN NCc1cc(C(F)(F)F)c(F)c(C(F)(F)F)c1 ZINC000575339839 377880996 /nfs/dbraw/zinc/88/09/96/377880996.db2.gz UJSOUIFVEOQCEI-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN N#Cc1c(CN)cc(C(F)(F)F)cc1C(F)(F)F ZINC000575341251 377882054 /nfs/dbraw/zinc/88/20/54/377882054.db2.gz PXBXLVGHHJDCGY-UHFFFAOYSA-N 0 3 268.160 3.055 10 30 CGEEHN CCc1nccn1[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000192009350 130350391 /nfs/dbraw/zinc/35/03/91/130350391.db2.gz NLTKETZFESGXIG-SFHVURJKSA-N 0 3 293.414 3.134 10 30 CGEEHN CCN1CCC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000049223543 392038660 /nfs/dbraw/zinc/03/86/60/392038660.db2.gz QCMPPSPSCMUBDG-ZDUSSCGKSA-N 0 3 297.324 3.473 10 30 CGEEHN Cc1cnn([C@@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC000187686236 392791958 /nfs/dbraw/zinc/79/19/58/392791958.db2.gz YXWCLEJRADHYBS-MAUKXSAKSA-N 0 3 294.402 3.461 10 30 CGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)NCC1CCCCC1 ZINC000330242283 228076840 /nfs/dbraw/zinc/07/68/40/228076840.db2.gz GCRHZXULEFXXER-APHBMKBZSA-N 0 3 294.439 3.069 10 30 CGEEHN CC(C)CSCc1ccc(F)c(C#CCN)c1 ZINC000049611463 519769849 /nfs/dbraw/zinc/76/98/49/519769849.db2.gz LOECCZYWDVXFEG-UHFFFAOYSA-N 0 3 251.370 3.025 10 30 CGEEHN N#Cc1ccc(CN2CCC[C@H](c3nccs3)C2)cc1 ZINC000157014620 526614006 /nfs/dbraw/zinc/61/40/06/526614006.db2.gz LGCPVNLHQGSNRR-HNNXBMFYSA-N 0 3 283.400 3.394 10 30 CGEEHN NCC#Cc1cccc(CSc2ccccc2)c1 ZINC000049611264 527153248 /nfs/dbraw/zinc/15/32/48/527153248.db2.gz LBEFNKSROPJIMJ-UHFFFAOYSA-N 0 3 253.370 3.289 10 30 CGEEHN CC(C)C(C#N)C(=O)c1ccc(Br)o1 ZINC000041045649 344967113 /nfs/dbraw/zinc/96/71/13/344967113.db2.gz ZLBWHDJNRFYAPF-SSDOTTSWSA-N 0 3 256.099 3.021 10 30 CGEEHN CC#CC[C@H](N)c1c(F)cccc1Br ZINC000165153217 346183913 /nfs/dbraw/zinc/18/39/13/346183913.db2.gz RGHXYLNPTPBINP-JTQLQIEISA-N 0 3 256.118 3.001 10 30 CGEEHN CC(C)(C)N1CCCOC[C@H]1c1cccc(C#N)c1 ZINC000616596595 348840348 /nfs/dbraw/zinc/84/03/48/348840348.db2.gz CTPIFOVTDDKYOB-HNNXBMFYSA-N 0 3 258.365 3.120 10 30 CGEEHN N#C[C@@H]1CCC[C@@H]1NC1CC(c2ccc(F)cc2)C1 ZINC000061891937 369611225 /nfs/dbraw/zinc/61/12/25/369611225.db2.gz JOMVIQGAWBQJER-QTISTPMNSA-N 0 3 258.340 3.354 10 30 CGEEHN C[C@H](c1cccc(C#N)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000187670728 375066943 /nfs/dbraw/zinc/06/69/43/375066943.db2.gz RUTOIFZRTHZSIF-CYBMUJFWSA-N 0 3 280.375 3.222 10 30 CGEEHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2n2cccn2)cc1F ZINC000192204389 375711946 /nfs/dbraw/zinc/71/19/46/375711946.db2.gz RCISECUVJZGISH-IAGOWNOFSA-N 0 3 298.365 3.167 10 30 CGEEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCCC(C)(C)C#N ZINC000245408956 376808701 /nfs/dbraw/zinc/80/87/01/376808701.db2.gz JWQKHSIJACUMLR-KFWWJZLASA-N 0 3 292.423 3.122 10 30 CGEEHN C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000245957904 376945680 /nfs/dbraw/zinc/94/56/80/376945680.db2.gz CHWCQJHDWLYOHT-ZMYBRWDISA-N 0 3 292.382 3.285 10 30 CGEEHN NCc1ccc(F)c(C(F)(F)F)c1C(F)(F)F ZINC000575381643 377892811 /nfs/dbraw/zinc/89/28/11/377892811.db2.gz XQJSRGKRALURPT-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN CC(C)(C#N)CCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000174862381 392647119 /nfs/dbraw/zinc/64/71/19/392647119.db2.gz WBGBHPFFRSVLBA-CQSZACIVSA-N 0 3 260.385 3.267 10 30 CGEEHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cccs1 ZINC000192588301 392853984 /nfs/dbraw/zinc/85/39/84/392853984.db2.gz SPDRJTYJJBRSFQ-OLZOCXBDSA-N 0 3 280.437 3.212 10 30 CGEEHN NCC#Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000037547926 173264505 /nfs/dbraw/zinc/26/45/05/173264505.db2.gz FJLLSWWZMRXJFL-UHFFFAOYSA-N 0 3 271.747 3.229 10 30 CGEEHN COc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1OC ZINC000299670787 263251312 /nfs/dbraw/zinc/25/13/12/263251312.db2.gz MGCZYLKOCWEMGN-RYUDHWBXSA-N 0 3 262.353 3.047 10 30 CGEEHN C#CCNCc1cccc(OCc2cccc(C)c2)c1 ZINC000045945407 330350004 /nfs/dbraw/zinc/35/00/04/330350004.db2.gz MAJYLWCLOGILEO-UHFFFAOYSA-N 0 3 265.356 3.297 10 30 CGEEHN C=C[C@H](C)Oc1ccc(Cl)cc1CNCCOC ZINC000062731094 519301054 /nfs/dbraw/zinc/30/10/54/519301054.db2.gz MHKPILRDYTWRBZ-NSHDSACASA-N 0 3 269.772 3.029 10 30 CGEEHN C[C@@H](CN1CCCC1)Nc1cc(Cl)ccc1C#N ZINC000062785392 524595419 /nfs/dbraw/zinc/59/54/19/524595419.db2.gz LOCFIHCLDFXEMT-NSHDSACASA-N 0 3 263.772 3.108 10 30 CGEEHN Cc1ccc(C(C#N)C(=O)[C@@H]2CCCCO2)cc1C ZINC000061682051 525676426 /nfs/dbraw/zinc/67/64/26/525676426.db2.gz DDEGZYUTCPQFEP-CABCVRRESA-N 0 3 257.333 3.049 10 30 CGEEHN CCCN(CCCC#N)[C@@H]1COc2cccc(OC)c2C1 ZINC000038439449 344955639 /nfs/dbraw/zinc/95/56/39/344955639.db2.gz PLWMDFQAPMAHKM-AWEZNQCLSA-N 0 3 288.391 3.014 10 30 CGEEHN N#C[C@@H]1CCC[C@@H]1NCC1C2CC3CC(C2)CC1C3 ZINC000611409923 348448350 /nfs/dbraw/zinc/44/83/50/348448350.db2.gz KOIXTUSBFMTENN-NXVDVIMPSA-N 0 3 258.409 3.341 10 30 CGEEHN Cc1ccc([C@H](C)NCCOc2ccccc2C#N)o1 ZINC000182577762 189328346 /nfs/dbraw/zinc/32/83/46/189328346.db2.gz RBAIHLSYKCFLQN-ZDUSSCGKSA-N 0 3 270.332 3.189 10 30 CGEEHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)o2)C12CCCC2 ZINC000093611016 370148782 /nfs/dbraw/zinc/14/87/82/370148782.db2.gz KDXCQWNUAWWGMK-JKSUJKDBSA-N 0 3 288.391 3.321 10 30 CGEEHN C[C@@H](NCC1(O)CCCCCC1)c1ccc(C#N)s1 ZINC000134973521 371380873 /nfs/dbraw/zinc/38/08/73/371380873.db2.gz OEZDDYJZXHEDIM-GFCCVEGCSA-N 0 3 278.421 3.356 10 30 CGEEHN C=CCO[C@H]1CCN(c2ccnc3c(C)cccc23)C1 ZINC000302166994 373825261 /nfs/dbraw/zinc/82/52/61/373825261.db2.gz PCESANXOOXYDQN-AWEZNQCLSA-N 0 3 268.360 3.325 10 30 CGEEHN N#Cc1cccc(NC(=O)CN2CCC[C@H]3CCCC[C@H]32)c1 ZINC000245392293 376804580 /nfs/dbraw/zinc/80/45/80/376804580.db2.gz ARDDCQJZQJOFCB-NVXWUHKLSA-N 0 3 297.402 3.151 10 30 CGEEHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(Br)cc1 ZINC000309909854 542427602 /nfs/dbraw/zinc/42/76/02/542427602.db2.gz LZCCZLWYSYPUFM-GXFFZTMASA-N 0 3 284.197 3.037 10 30 CGEEHN N#Cc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)o1 ZINC000093868167 165340091 /nfs/dbraw/zinc/34/00/91/165340091.db2.gz MDEOKJFKJZCJGQ-QAPCUYQASA-N 0 3 296.370 3.239 10 30 CGEEHN N#Cc1ccccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000020358831 171157989 /nfs/dbraw/zinc/15/79/89/171157989.db2.gz CRMXAMKSRUCLBL-QGZVFWFLSA-N 0 3 277.371 3.245 10 30 CGEEHN C=CCCC(C)(C)NCc1csc(COC)n1 ZINC000657805906 419360656 /nfs/dbraw/zinc/36/06/56/419360656.db2.gz WUWGTQRMABWNLO-UHFFFAOYSA-N 0 3 254.399 3.124 10 30 CGEEHN C=C(Br)CN[C@H](C)[C@H]1COc2ccccc21 ZINC000185603207 262306399 /nfs/dbraw/zinc/30/63/99/262306399.db2.gz DFBWWDPFVRLOSR-ZYHUDNBSSA-N 0 3 282.181 3.049 10 30 CGEEHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2ccnn2C)CC1 ZINC000118396029 278411931 /nfs/dbraw/zinc/41/19/31/278411931.db2.gz CLNRUNJPNNEVLA-AWEZNQCLSA-N 0 3 294.402 3.232 10 30 CGEEHN N#CCSCCCN1CCC[C@H]1c1ccco1 ZINC000173895159 329153372 /nfs/dbraw/zinc/15/33/72/329153372.db2.gz NXGKDVIGJIGILC-LBPRGKRZSA-N 0 3 250.367 3.063 10 30 CGEEHN CC(C)(C)SCc1ccc(F)cc1C#CCN ZINC000049611232 518912671 /nfs/dbraw/zinc/91/26/71/518912671.db2.gz FDWHRFCGQONKFF-UHFFFAOYSA-N 0 3 251.370 3.168 10 30 CGEEHN CC(C)CNCc1cc(Cl)ccc1O[C@@H](C)C#N ZINC000062730982 519746797 /nfs/dbraw/zinc/74/67/97/519746797.db2.gz QCHXLYZJCDECJR-NSHDSACASA-N 0 3 266.772 3.376 10 30 CGEEHN C=C[C@@H](N)c1ccc(Br)cc1Br ZINC000229826792 346318348 /nfs/dbraw/zinc/31/83/48/346318348.db2.gz LMUGBXGUXTYRFH-SECBINFHSA-N 0 3 290.986 3.397 10 30 CGEEHN C#CC[C@@H](N)c1cc(Cl)ccc1Br ZINC000236315993 346339711 /nfs/dbraw/zinc/33/97/11/346339711.db2.gz GXKLXDBBDFXQHC-SNVBAGLBSA-N 0 3 258.546 3.126 10 30 CGEEHN N#C[C@@H]1CCCC[C@@H]1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000380901888 346557631 /nfs/dbraw/zinc/55/76/31/346557631.db2.gz RWBXJZGYGQVVHR-FHWLQOOXSA-N 0 3 297.446 3.323 10 30 CGEEHN FC(F)(F)c1ccccc1CO/N=C1\CN2CCC1CC2 ZINC000584661647 346706676 /nfs/dbraw/zinc/70/66/76/346706676.db2.gz MVDLJEPPVBMXJH-XMHGGMMESA-N 0 3 298.308 3.304 10 30 CGEEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1cccc(C#N)c1 ZINC000610583139 348391084 /nfs/dbraw/zinc/39/10/84/348391084.db2.gz QTAXXKODHKGXQK-QZTJIDSGSA-N 0 3 283.419 3.007 10 30 CGEEHN Fc1ccc(C#CCN[C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000128305148 370960708 /nfs/dbraw/zinc/96/07/08/370960708.db2.gz ULDKJMLOJFSWLY-ZWKOTPCHSA-N 0 3 297.377 3.147 10 30 CGEEHN C[C@H](Cc1ccc(F)cc1)N[C@H]1CCCC[C@@H]1C#N ZINC000062052590 369616634 /nfs/dbraw/zinc/61/66/34/369616634.db2.gz ZUQWSBKMTJHZJJ-XPKDYRNWSA-N 0 3 260.356 3.429 10 30 CGEEHN CN1CC[C@@H](CNC(=O)C[C@H]2C=CCC2)[C@@H]1c1cccnc1 ZINC000328625568 374370814 /nfs/dbraw/zinc/37/08/14/374370814.db2.gz KWQHVSARVNERLI-ZVZYQTTQSA-N 0 3 299.418 3.387 10 30 CGEEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)c1cccc(C#N)c1 ZINC000189916317 375458698 /nfs/dbraw/zinc/45/86/98/375458698.db2.gz OFOIFPGGWVAUCC-KSSFIOAISA-N 0 3 294.402 3.289 10 30 CGEEHN C=C(C)[C@H](CO)N[C@@H](C)c1cccc(Br)c1 ZINC000381348248 542596787 /nfs/dbraw/zinc/59/67/87/542596787.db2.gz ZREVVWBIACNXRE-GWCFXTLKSA-N 0 3 284.197 3.037 10 30 CGEEHN Cc1cc([C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC000371961085 392570178 /nfs/dbraw/zinc/57/01/78/392570178.db2.gz DQOKXORRZASDRH-CQSZACIVSA-N 0 3 298.365 3.109 10 30 CGEEHN Cc1cc([C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)[nH]n1 ZINC000371961085 392570183 /nfs/dbraw/zinc/57/01/83/392570183.db2.gz DQOKXORRZASDRH-CQSZACIVSA-N 0 3 298.365 3.109 10 30 CGEEHN CC[C@H](C)Oc1ccc2cc(C#CCN)ccc2c1 ZINC000042477873 174755857 /nfs/dbraw/zinc/75/58/57/174755857.db2.gz KVHRVVXOTAQSJG-ZDUSSCGKSA-N 0 3 253.345 3.327 10 30 CGEEHN N#C[C@H]1CCC[C@H]1NC1CCC2(CCOCC2)CC1 ZINC000334155362 260143088 /nfs/dbraw/zinc/14/30/88/260143088.db2.gz VCSHDVPXBDNADR-UKRRQHHQSA-N 0 3 262.397 3.008 10 30 CGEEHN CCCCSCc1ccc(F)cc1C#CCN ZINC000049611529 520956634 /nfs/dbraw/zinc/95/66/34/520956634.db2.gz LLTKEKAQXIOIPV-UHFFFAOYSA-N 0 3 251.370 3.169 10 30 CGEEHN N#C[C@@H]1CCCCC[C@H]1NCCc1cccc(F)c1 ZINC000054825291 526499427 /nfs/dbraw/zinc/49/94/27/526499427.db2.gz MAVMVWSRBDZCQQ-GOEBONIOSA-N 0 3 260.356 3.430 10 30 CGEEHN C#C[C@@H](NCC)c1ccc(C)c(Br)c1 ZINC000130132467 346054663 /nfs/dbraw/zinc/05/46/63/346054663.db2.gz AIRXRMHPEWLLDU-GFCCVEGCSA-N 0 3 252.155 3.041 10 30 CGEEHN CN(C)CCNc1ccc(-c2cccc(C#N)c2)cc1 ZINC000584611714 346692503 /nfs/dbraw/zinc/69/25/03/346692503.db2.gz QWRGDCGFRGTDDI-UHFFFAOYSA-N 0 3 265.360 3.199 10 30 CGEEHN CC(C)(C)N1CCO[C@@H](c2cccc(C#N)c2)CC1 ZINC000616666280 348860032 /nfs/dbraw/zinc/86/00/32/348860032.db2.gz MMNUZGALFNLREH-OAHLLOKOSA-N 0 3 258.365 3.120 10 30 CGEEHN C=CCN1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000114481716 370502912 /nfs/dbraw/zinc/50/29/12/370502912.db2.gz HCEYXWOQQRKBEU-OAHLLOKOSA-N 0 3 267.376 3.442 10 30 CGEEHN C=CCN1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000114481714 370502941 /nfs/dbraw/zinc/50/29/41/370502941.db2.gz HCEYXWOQQRKBEU-HNNXBMFYSA-N 0 3 267.376 3.442 10 30 CGEEHN CCN1CCC[C@H](Nc2ccc3cc(C#N)ccc3n2)C1 ZINC000180422376 374001651 /nfs/dbraw/zinc/00/16/51/374001651.db2.gz GYFGVICSHALEMW-HNNXBMFYSA-N 0 3 280.375 3.003 10 30 CGEEHN C=C(C)CN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000252652225 377645695 /nfs/dbraw/zinc/64/56/95/377645695.db2.gz IWCLSPYLJFLBDO-QWHCGFSZSA-N 0 3 251.395 3.212 10 30 CGEEHN NCc1cc(F)c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000575339715 377880694 /nfs/dbraw/zinc/88/06/94/377880694.db2.gz OCXYWCCVCAOGNF-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN CCN1CCC[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 ZINC000061846204 392129645 /nfs/dbraw/zinc/12/96/45/392129645.db2.gz LFCLKGQDGKOTJX-CYBMUJFWSA-N 0 3 263.772 3.108 10 30 CGEEHN NCC#Cc1cccc(OCc2ccccc2Cl)c1 ZINC000037547975 173264588 /nfs/dbraw/zinc/26/45/88/173264588.db2.gz NPSDJHMRSUSEIN-UHFFFAOYSA-N 0 3 271.747 3.229 10 30 CGEEHN CCNCc1cc(-c2cccc(C#N)c2)ccc1F ZINC000038070581 174081584 /nfs/dbraw/zinc/08/15/84/174081584.db2.gz BWXTUASWVPHQEG-UHFFFAOYSA-N 0 3 254.308 3.474 10 30 CGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)NC1CCC(C)CC1 ZINC000330258023 228083185 /nfs/dbraw/zinc/08/31/85/228083185.db2.gz MANBDRGDRICJTR-RYJASNSRSA-N 0 3 294.439 3.067 10 30 CGEEHN NCC#Cc1ccc(CSc2ccccc2)cc1 ZINC000049611259 527150070 /nfs/dbraw/zinc/15/00/70/527150070.db2.gz ZQCBHPUXHPGFPH-UHFFFAOYSA-N 0 3 253.370 3.289 10 30 CGEEHN C[C@@H](N[C@@H]1CCCSC1)c1ccc(C#N)s1 ZINC000127442341 187307003 /nfs/dbraw/zinc/30/70/03/187307003.db2.gz ZKMVYOAARZVUAE-NXEZZACHSA-N 0 3 252.408 3.166 10 30 CGEEHN C=C(C)[C@H](NC)c1cccc(I)c1 ZINC000131441103 346065403 /nfs/dbraw/zinc/06/54/03/346065403.db2.gz JTSPIYJMNZMODD-NSHDSACASA-N 0 3 287.144 3.128 10 30 CGEEHN [O-]/[N+](=C\c1ccccc1)Cc1cccc(Br)c1 ZINC000225441333 346303770 /nfs/dbraw/zinc/30/37/70/346303770.db2.gz IPFLHYSAJREGDH-YBEGLDIGSA-N 0 3 291.168 3.470 10 30 CGEEHN N#Cc1cc(C(F)(F)F)cc(CN)c1C(F)(F)F ZINC000514264547 346636344 /nfs/dbraw/zinc/63/63/44/346636344.db2.gz SPHKBMBTUJPHTB-UHFFFAOYSA-N 0 3 268.160 3.055 10 30 CGEEHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccccc1C ZINC000119230837 416500412 /nfs/dbraw/zinc/50/04/12/416500412.db2.gz ZQNJGWQAROLPPX-HOTGVXAUSA-N 0 3 288.435 3.459 10 30 CGEEHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccccc1C ZINC000119311942 267321595 /nfs/dbraw/zinc/32/15/95/267321595.db2.gz CJZAMEYEAFPIII-HOTGVXAUSA-N 0 3 286.419 3.235 10 30 CGEEHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000183677005 329249424 /nfs/dbraw/zinc/24/94/24/329249424.db2.gz IDNLEQUPKWOPOU-LSDHHAIUSA-N 0 3 292.467 3.215 10 30 CGEEHN N#CC(C(=O)[C@@H]1CCCOC1)c1ccc(F)cc1Cl ZINC000062610776 526507232 /nfs/dbraw/zinc/50/72/32/526507232.db2.gz GOZWDGQLTZDCAL-SKDRFNHKSA-N 0 3 281.714 3.082 10 30 CGEEHN CC[C@H]1CCN1CCC(=O)Nc1sccc1C#N ZINC000330286590 529244903 /nfs/dbraw/zinc/24/49/03/529244903.db2.gz ZZRGKQWCWYHPNN-NSHDSACASA-N 0 3 263.366 3.082 10 30 CGEEHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000079308986 640392048 /nfs/dbraw/zinc/39/20/48/640392048.db2.gz IDUSWBSVQDPQBO-KBPBESRZSA-N 0 3 288.435 3.325 10 30 CGEEHN C=C[C@H](N)c1cc(Cl)ccc1I ZINC000229298828 346316817 /nfs/dbraw/zinc/31/68/17/346316817.db2.gz MKKCPFQYTJBDCK-VIFPVBQESA-N 0 3 293.535 3.130 10 30 CGEEHN C#CCOc1c(CNCCCCCC)cccc1OC ZINC000045945755 369287206 /nfs/dbraw/zinc/28/72/06/369287206.db2.gz SCIPCHSVVDHDPG-UHFFFAOYSA-N 0 3 275.392 3.377 10 30 CGEEHN Cc1ccc([C@@H](C)NCCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000192806519 392860582 /nfs/dbraw/zinc/86/05/82/392860582.db2.gz CDRPQOGGCNJPJG-CYBMUJFWSA-N 0 3 297.358 3.139 10 30 CGEEHN C#CCCN[C@H](C)c1ccccc1Br ZINC000070190962 260153819 /nfs/dbraw/zinc/15/38/19/260153819.db2.gz HPPGJHODPQFEDL-SNVBAGLBSA-N 0 3 252.155 3.123 10 30 CGEEHN Cc1cnn([C@@H]2CCCN([C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000118398575 279034295 /nfs/dbraw/zinc/03/42/95/279034295.db2.gz PKTWQXFABGTYHM-MAUKXSAKSA-N 0 3 294.402 3.461 10 30 CGEEHN Cc1csc([C@H]2CCCN(CCCSCC#N)C2)n1 ZINC000173876541 329153151 /nfs/dbraw/zinc/15/31/51/329153151.db2.gz PLSNAOYZXHLNER-ZDUSSCGKSA-N 0 3 295.477 3.278 10 30 CGEEHN C[C@H](CCc1ccc2c(c1)OCO2)N[C@H]1CCC[C@@H]1C#N ZINC000061891345 333474974 /nfs/dbraw/zinc/47/49/74/333474974.db2.gz JHGFQJFTMPTFSU-YUELXQCFSA-N 0 3 286.375 3.018 10 30 CGEEHN C=C(C)C[C@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000184954568 518635143 /nfs/dbraw/zinc/63/51/43/518635143.db2.gz VWBLNZIMYXHDQY-GOEBONIOSA-N 0 3 274.408 3.008 10 30 CGEEHN Cc1ccc(C(C#N)C(=O)[C@@H]2CCCCO2)cc1C ZINC000061682052 525871717 /nfs/dbraw/zinc/87/17/17/525871717.db2.gz DDEGZYUTCPQFEP-GJZGRUSLSA-N 0 3 257.333 3.049 10 30 CGEEHN C=CCC[C@@H](N)c1ccc(Br)cc1OC ZINC000129139801 346047336 /nfs/dbraw/zinc/04/73/36/346047336.db2.gz QXRRSJDLCXTSBY-LLVKDONJSA-N 0 3 270.170 3.424 10 30 CGEEHN C=CCC[C@H](N)c1ccc(Br)cc1OC ZINC000129140039 346047898 /nfs/dbraw/zinc/04/78/98/346047898.db2.gz QXRRSJDLCXTSBY-NSHDSACASA-N 0 3 270.170 3.424 10 30 CGEEHN C=CCC[C@H](N)c1c(F)c(F)c(F)c(F)c1F ZINC000167770656 346188960 /nfs/dbraw/zinc/18/89/60/346188960.db2.gz DJGGZLMTZIWATL-YFKPBYRVSA-N 0 3 251.198 3.348 10 30 CGEEHN CC#CC[C@H](N)c1c(C)cccc1Br ZINC000306769199 346457374 /nfs/dbraw/zinc/45/73/74/346457374.db2.gz ABDOUWOGPDFKIN-NSHDSACASA-N 0 3 252.155 3.171 10 30 CGEEHN CCOC1CCC(N[C@@H]2CCCC[C@H]2C#N)CC1 ZINC000597194929 347548841 /nfs/dbraw/zinc/54/88/41/347548841.db2.gz BDXVMHVWLBFCTJ-VXGQWTEUSA-N 0 3 250.386 3.006 10 30 CGEEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1ccccc1C#N ZINC000610583125 348391104 /nfs/dbraw/zinc/39/11/04/348391104.db2.gz QNFBEOJOHAYFBP-ZWKOTPCHSA-N 0 3 283.419 3.007 10 30 CGEEHN CC(C)(C)N1CCOCC[C@H]1c1cccc(C#N)c1 ZINC000616599446 348841650 /nfs/dbraw/zinc/84/16/50/348841650.db2.gz ZNFKCTNMOVRENW-HNNXBMFYSA-N 0 3 258.365 3.120 10 30 CGEEHN N#Cc1ccc(OCCN2CCC[C@@H]2c2ccco2)cc1 ZINC000116294659 138365940 /nfs/dbraw/zinc/36/59/40/138365940.db2.gz MSPYMRTYKYGOPG-MRXNPFEDSA-N 0 3 282.343 3.367 10 30 CGEEHN C#CCNCc1ccc(OCc2ccc(C)cc2)cc1 ZINC000045945322 369287105 /nfs/dbraw/zinc/28/71/05/369287105.db2.gz YXZFEIXBXPVUNF-UHFFFAOYSA-N 0 3 265.356 3.297 10 30 CGEEHN C[C@@H]1CN2CCCC[C@H]2CN1CCCCC(C)(C)C#N ZINC000300187774 261181429 /nfs/dbraw/zinc/18/14/29/261181429.db2.gz GHEPZSUPOSPAOS-CVEARBPZSA-N 0 3 277.456 3.265 10 30 CGEEHN C=CCCCCCN(C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000132282158 371164140 /nfs/dbraw/zinc/16/41/40/371164140.db2.gz ZGZPFCWVBWUNRB-HOTGVXAUSA-N 0 3 295.471 3.103 10 30 CGEEHN CC#CCC[C@H](N)c1sccc1Br ZINC000156801467 371995202 /nfs/dbraw/zinc/99/52/02/371995202.db2.gz HXQKSNKOEXADQK-VIFPVBQESA-N 0 3 258.184 3.314 10 30 CGEEHN CCn1cccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000091024048 165250405 /nfs/dbraw/zinc/25/04/05/165250405.db2.gz DTMWGMSGSZBBNL-ZDUSSCGKSA-N 0 3 253.349 3.230 10 30 CGEEHN N#C[C@H]1CCC[C@@H]1NC1CCC2(CCOCC2)CC1 ZINC000334155361 260142938 /nfs/dbraw/zinc/14/29/38/260142938.db2.gz VCSHDVPXBDNADR-HIFRSBDPSA-N 0 3 262.397 3.008 10 30 CGEEHN C=CCOc1ccc(CNCCSCC=C)cc1 ZINC000105462601 261310825 /nfs/dbraw/zinc/31/08/25/261310825.db2.gz DXSMDCQAYDXYBX-UHFFFAOYSA-N 0 3 263.406 3.260 10 30 CGEEHN COc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000248717891 329897666 /nfs/dbraw/zinc/89/76/66/329897666.db2.gz CBVCVJZONWEWDV-GZBFAFLISA-N 0 3 288.391 3.437 10 30 CGEEHN CC(C)CN(CCN(C)C)c1ccc(C#N)c(Cl)c1 ZINC000061851157 519717034 /nfs/dbraw/zinc/71/70/34/519717034.db2.gz GDVJCNCZDJJKEX-UHFFFAOYSA-N 0 3 279.815 3.236 10 30 CGEEHN C=C(C)C[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000184954581 518630288 /nfs/dbraw/zinc/63/02/88/518630288.db2.gz VWBLNZIMYXHDQY-GDBMZVCRSA-N 0 3 274.408 3.008 10 30 CGEEHN C#CC[C@@H](N)c1cccc(Br)c1Cl ZINC000168552291 346190357 /nfs/dbraw/zinc/19/03/57/346190357.db2.gz CSHPNEMOAOALQI-SECBINFHSA-N 0 3 258.546 3.126 10 30 CGEEHN N#Cc1cc(C(F)(F)F)c(CN)c(C(F)(F)F)c1 ZINC000514264501 346636181 /nfs/dbraw/zinc/63/61/81/346636181.db2.gz LDAPDJKCBAMATJ-UHFFFAOYSA-N 0 3 268.160 3.055 10 30 CGEEHN CC(C)(C)N1CCCOC[C@@H]1c1cccc(C#N)c1 ZINC000616598515 348840020 /nfs/dbraw/zinc/84/00/20/348840020.db2.gz CTPIFOVTDDKYOB-OAHLLOKOSA-N 0 3 258.365 3.120 10 30 CGEEHN N#Cc1cccc(OCCN2CCC[C@@H]2c2ccco2)c1 ZINC000116289127 138365795 /nfs/dbraw/zinc/36/57/95/138365795.db2.gz IYDJVRHNJSHMHD-MRXNPFEDSA-N 0 3 282.343 3.367 10 30 CGEEHN N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000127884674 138391367 /nfs/dbraw/zinc/39/13/67/138391367.db2.gz RPFRGUREMKFQAW-SJORKVTESA-N 0 3 298.365 3.167 10 30 CGEEHN CN1C[C@@H](CC#N)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000004215531 368536350 /nfs/dbraw/zinc/53/63/50/368536350.db2.gz LBMFWYCMCHRLBU-SGIREYDYSA-N 0 3 265.360 3.042 10 30 in-man CGEEHN C#CCNCc1cccc(OCc2ccc(F)cc2)c1 ZINC000045945290 369287142 /nfs/dbraw/zinc/28/71/42/369287142.db2.gz SSZGJZURSIATQB-UHFFFAOYSA-N 0 3 269.319 3.128 10 30 CGEEHN C#CCOc1c(CNCCC(C)C)cccc1OCC ZINC000045945993 369288443 /nfs/dbraw/zinc/28/84/43/369288443.db2.gz MUNRGGLVHOZRFV-UHFFFAOYSA-N 0 3 275.392 3.233 10 30 CGEEHN CN1CC[C@@H](CNC(=O)[C@@H]2CC=CCC2)[C@@H]1c1cccnc1 ZINC000328633638 374371762 /nfs/dbraw/zinc/37/17/62/374371762.db2.gz SRWKXCYLKUNIQQ-PVAVHDDUSA-N 0 3 299.418 3.387 10 30 CGEEHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2ccnn2C)CC1 ZINC000187670563 375067857 /nfs/dbraw/zinc/06/78/57/375067857.db2.gz MEEBTXBQMGKASH-AWEZNQCLSA-N 0 3 294.402 3.232 10 30 CGEEHN C=C(C)CN1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195443151 376103953 /nfs/dbraw/zinc/10/39/53/376103953.db2.gz MCMHTHIRKWYUAL-GFCCVEGCSA-N 0 3 250.411 3.461 10 30 CGEEHN C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245957898 376945411 /nfs/dbraw/zinc/94/54/11/376945411.db2.gz CHWCQJHDWLYOHT-NIKGAXFTSA-N 0 3 292.382 3.285 10 30 CGEEHN C=CCC[C@@H](O)CN[C@H](C)c1ccccc1Br ZINC000181572224 542219186 /nfs/dbraw/zinc/21/91/86/542219186.db2.gz OVSIXEFCXNMFLU-VXGBXAGGSA-N 0 3 298.224 3.427 10 30 CGEEHN CC(C)c1ccc(C(C#N)C(=O)[C@@H]2CCCO2)cc1 ZINC000037347947 173143953 /nfs/dbraw/zinc/14/39/53/173143953.db2.gz XDYRQZAQSKNUAU-CABCVRRESA-N 0 3 257.333 3.165 10 30 CGEEHN C=C(Br)CN[C@@H](C)[C@H]1COc2ccccc21 ZINC000185603186 262306670 /nfs/dbraw/zinc/30/66/70/262306670.db2.gz DFBWWDPFVRLOSR-CMPLNLGQSA-N 0 3 282.181 3.049 10 30 CGEEHN N#C[C@@H]1CCC[C@H]1NC1CCC(C(F)(F)F)CC1 ZINC000085126267 330364395 /nfs/dbraw/zinc/36/43/95/330364395.db2.gz UQQVXXWOJHNZJE-WNYYMSAVSA-N 0 3 260.303 3.389 10 30 CGEEHN Cc1cnc([C@H](C)NC(=O)[C@@H]2CCCN2C2CCCC2)o1 ZINC000329422293 534629981 /nfs/dbraw/zinc/62/99/81/534629981.db2.gz HLKWARQHGRKEKX-JSGCOSHPSA-N 0 3 291.395 3.408 10 30 CGEEHN N#C[C@@H]1CCCC[C@H]1NCCCOc1ccccc1 ZINC000054829582 526500175 /nfs/dbraw/zinc/50/01/75/526500175.db2.gz AKPCIRDISGRVRW-GOEBONIOSA-N 0 3 258.365 3.127 10 30 CGEEHN N#Cc1ccc([C@@H](O)CN2CCC[C@H]2c2ccco2)cc1 ZINC000156420262 526688827 /nfs/dbraw/zinc/68/88/27/526688827.db2.gz KFVHVOUATKKOFU-HOTGVXAUSA-N 0 3 282.343 3.022 10 30 CGEEHN C#C[C@@H](C)N[C@@H]1CCc2c1cccc2Br ZINC000229406130 623129961 /nfs/dbraw/zinc/12/99/61/623129961.db2.gz BNNOIGXQUCFZIU-NOZJJQNGSA-N 0 3 264.166 3.048 10 30 CGEEHN C#C[C@@H](NCC)c1ccc(Cl)c(Br)c1 ZINC000126831725 346027583 /nfs/dbraw/zinc/02/75/83/346027583.db2.gz ORJQKTFODQOXPV-LLVKDONJSA-N 0 3 272.573 3.386 10 30 CGEEHN CC#CC[C@@H](N)c1c(C)cccc1Br ZINC000306769195 346457171 /nfs/dbraw/zinc/45/71/71/346457171.db2.gz ABDOUWOGPDFKIN-LLVKDONJSA-N 0 3 252.155 3.171 10 30 CGEEHN N#Cc1ccccc1[C@@H]1COCCN(Cc2ccccc2)C1 ZINC000616660911 348859002 /nfs/dbraw/zinc/85/90/02/348859002.db2.gz RJZQNNGDDFKQOO-SFHVURJKSA-N 0 3 292.382 3.174 10 30 CGEEHN CC#CCCN1CCC(Nc2ccccc2F)CC1 ZINC000156669691 260801725 /nfs/dbraw/zinc/80/17/25/260801725.db2.gz APENQNZROFMZPV-UHFFFAOYSA-N 0 3 260.356 3.115 10 30 CGEEHN C=CCN1CCC[C@H](N(C(=O)CC)c2ccccc2)CC1 ZINC000027988825 368880051 /nfs/dbraw/zinc/88/00/51/368880051.db2.gz VOOYWKHGNRDJHJ-KRWDZBQOSA-N 0 3 286.419 3.470 10 30 CGEEHN C[C@H](Cc1ccc(F)cc1)N[C@@H]1CCCC[C@@H]1C#N ZINC000062052588 369616524 /nfs/dbraw/zinc/61/65/24/369616524.db2.gz ZUQWSBKMTJHZJJ-XNRPHZJLSA-N 0 3 260.356 3.429 10 30 CGEEHN CC#CCCN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000156792952 371995797 /nfs/dbraw/zinc/99/57/97/371995797.db2.gz WPERHZMZIKGNIX-INIZCTEOSA-N 0 3 273.351 3.276 10 30 CGEEHN CCc1csc([C@H]2CCCN(CCCC#N)C2)n1 ZINC000195379898 376100563 /nfs/dbraw/zinc/10/05/63/376100563.db2.gz NTMKIJZJFFMPEX-LBPRGKRZSA-N 0 3 263.410 3.189 10 30 CGEEHN CC(C)c1ccc(C(C#N)C(=O)[C@H]2CCCO2)cc1 ZINC000037347953 173143891 /nfs/dbraw/zinc/14/38/91/173143891.db2.gz XDYRQZAQSKNUAU-LSDHHAIUSA-N 0 3 257.333 3.165 10 30 CGEEHN C#CCCOc1ccc(Br)cc1CNC1CC1 ZINC000037703077 173625361 /nfs/dbraw/zinc/62/53/61/173625361.db2.gz PKDAVIUINXSEGH-UHFFFAOYSA-N 0 3 294.192 3.103 10 30 CGEEHN CC(C)(C#N)CCCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000300119223 261176016 /nfs/dbraw/zinc/17/60/16/261176016.db2.gz CQWJPTFYKTWAKC-HUUCEWRRSA-N 0 3 264.413 3.350 10 30 CGEEHN COc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1OC ZINC000185789256 262071690 /nfs/dbraw/zinc/07/16/90/262071690.db2.gz CBVCVJZONWEWDV-YDHLFZDLSA-N 0 3 288.391 3.437 10 30 CGEEHN C=CCN(CC=C)Cc1cc(C)c(CNC(C)C)o1 ZINC000052376792 518770659 /nfs/dbraw/zinc/77/06/59/518770659.db2.gz JPHGISHRJVBRGU-UHFFFAOYSA-N 0 3 262.397 3.260 10 30 CGEEHN C[C@@H](CNc1cccc(Cl)c1C#N)N1CCCCC1 ZINC000052903889 524756521 /nfs/dbraw/zinc/75/65/21/524756521.db2.gz RPXYINOXCBNZOL-LBPRGKRZSA-N 0 3 277.799 3.498 10 30 CGEEHN C#CC[C@H](N)c1ccc(Br)cc1Cl ZINC000168604263 346191161 /nfs/dbraw/zinc/19/11/61/346191161.db2.gz RPROLHBVBZYOOT-JTQLQIEISA-N 0 3 258.546 3.126 10 30 CGEEHN N#C[C@@H]1CCCC[C@H]1NC[C@H]1CCCCC1(F)F ZINC000390957715 346574868 /nfs/dbraw/zinc/57/48/68/346574868.db2.gz ZHIAGABMGFIPSV-YNEHKIRRSA-N 0 3 256.340 3.484 10 30 CGEEHN C#CCOc1ccc(Cl)cc1CNC(C)(C)C ZINC000045945536 369287576 /nfs/dbraw/zinc/28/75/76/369287576.db2.gz QAVJJUCDPCXCFM-UHFFFAOYSA-N 0 3 251.757 3.240 10 30 CGEEHN CN(C)C[C@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000135673521 371442602 /nfs/dbraw/zinc/44/26/02/371442602.db2.gz XOVVNDYRHUUWQK-INIZCTEOSA-N 0 3 285.416 3.012 10 30 CGEEHN C[C@H](COCc1ccccc1)NCc1cccc(C#N)c1 ZINC000174619985 373346516 /nfs/dbraw/zinc/34/65/16/373346516.db2.gz IDLRIGKOCJODFB-OAHLLOKOSA-N 0 3 280.371 3.253 10 30 CGEEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)c1cccc(C#N)c1 ZINC000189916338 375458782 /nfs/dbraw/zinc/45/87/82/375458782.db2.gz OFOIFPGGWVAUCC-KBXCAEBGSA-N 0 3 294.402 3.289 10 30 CGEEHN CN(CCCN[C@H]1CCCC[C@H]1C#N)c1ccccc1 ZINC000249968441 377544317 /nfs/dbraw/zinc/54/43/17/377544317.db2.gz GPYWVWBDOQOABA-RDJZCZTQSA-N 0 3 271.408 3.185 10 30 CGEEHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247927093 393082713 /nfs/dbraw/zinc/08/27/13/393082713.db2.gz BRLMTXQAJKRLQF-JLSDUUJJSA-N 0 3 284.403 3.246 10 30 CGEEHN N#Cc1cccc(NC(=O)CN2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000007586862 170292031 /nfs/dbraw/zinc/29/20/31/170292031.db2.gz ARDDCQJZQJOFCB-WBVHZDCISA-N 0 3 297.402 3.151 10 30 CGEEHN C#CCNCc1ccc(OCc2cccc(C)c2)cc1 ZINC000045945371 330350121 /nfs/dbraw/zinc/35/01/21/330350121.db2.gz FFCZOUBYKHEKIM-UHFFFAOYSA-N 0 3 265.356 3.297 10 30 CGEEHN C=CCOc1cccc(CN2CCC[C@H]2Cn2ccnc2)c1 ZINC000188397520 542248094 /nfs/dbraw/zinc/24/80/94/542248094.db2.gz YAMBQDALXQDXIW-KRWDZBQOSA-N 0 3 297.402 3.113 10 30 CGEEHN CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C#N)C12CCCC2 ZINC000085681229 345747768 /nfs/dbraw/zinc/74/77/68/345747768.db2.gz TYYJGBSTOGCXAQ-APIJFGDWSA-N 0 3 262.397 3.006 10 30 CGEEHN C#CC[C@H](N)c1ccc(Cl)cc1Br ZINC000236305073 346340072 /nfs/dbraw/zinc/34/00/72/346340072.db2.gz XBWXWYACWDRXGB-JTQLQIEISA-N 0 3 258.546 3.126 10 30 CGEEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1CCCC[C@H]1C#N ZINC000389858205 346573816 /nfs/dbraw/zinc/57/38/16/346573816.db2.gz DCGGZQMSNMPLSN-LULLPPNCSA-N 0 3 297.446 3.179 10 30 CGEEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1ccccc1C#N ZINC000610583122 348391172 /nfs/dbraw/zinc/39/11/72/348391172.db2.gz QNFBEOJOHAYFBP-MSOLQXFVSA-N 0 3 283.419 3.007 10 30 CGEEHN N#C[C@H]1CCC[C@@H]1NCC1C2CC3CC(C2)CC1C3 ZINC000611409921 348448067 /nfs/dbraw/zinc/44/80/67/348448067.db2.gz KOIXTUSBFMTENN-ARSMMSNPSA-N 0 3 258.409 3.341 10 30 CGEEHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2n2cccn2)s1 ZINC000176980927 373644855 /nfs/dbraw/zinc/64/48/55/373644855.db2.gz AJQFHRUMUYJMRI-LSDHHAIUSA-N 0 3 286.404 3.090 10 30 CGEEHN C[C@H](c1cccc(C#N)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000249407259 377499105 /nfs/dbraw/zinc/49/91/05/377499105.db2.gz WYJMPFMOSJBANW-OLMNPRSZSA-N 0 3 284.403 3.246 10 30 CGEEHN CC(C)=CC(=O)c1ccc(OCCN2CCCC2)cc1 ZINC000575359207 377887999 /nfs/dbraw/zinc/88/79/99/377887999.db2.gz VACDPZGHFRNXAO-UHFFFAOYSA-N 0 3 273.376 3.310 10 30 CGEEHN C=CCOC[C@@H](O)CN(CCC(C)C)Cc1ccsc1 ZINC000036099614 391975286 /nfs/dbraw/zinc/97/52/86/391975286.db2.gz GZKBGBAIKLZQDY-INIZCTEOSA-N 0 3 297.464 3.160 10 30 CGEEHN Cc1ccccc1[C@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000192855136 392862653 /nfs/dbraw/zinc/86/26/53/392862653.db2.gz NYQVBLNKJHZQQX-AWEZNQCLSA-N 0 3 293.370 3.156 10 30 CGEEHN CCCn1ccc(CNCc2cccc(C#N)c2)c1 ZINC000091012259 165252518 /nfs/dbraw/zinc/25/25/18/165252518.db2.gz XQPPFDDFHAVGRP-UHFFFAOYSA-N 0 3 253.349 3.060 10 30 CGEEHN C=CCNCc1cc(Cl)c(OCCC)c(OC)c1 ZINC000020931519 171280972 /nfs/dbraw/zinc/28/09/72/171280972.db2.gz UFUINBGZGDLGQX-UHFFFAOYSA-N 0 3 269.772 3.413 10 30 CGEEHN C=C(Cl)COc1cc2c(cc1CNCCC)OCO2 ZINC000042874719 174899781 /nfs/dbraw/zinc/89/97/81/174899781.db2.gz BYVBVTDOFFYTMI-UHFFFAOYSA-N 0 3 283.755 3.046 10 30 CGEEHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccccc1C ZINC000119230753 416499789 /nfs/dbraw/zinc/49/97/89/416499789.db2.gz ZQNJGWQAROLPPX-JKSUJKDBSA-N 0 3 288.435 3.459 10 30 CGEEHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000070741346 264238015 /nfs/dbraw/zinc/23/80/15/264238015.db2.gz PQEDOWDQRJPSIV-KBPBESRZSA-N 0 3 274.408 3.151 10 30 CGEEHN C#CC[C@H](NCC)c1cc(Cl)c(OC)c(OC)c1 ZINC000051075034 518339500 /nfs/dbraw/zinc/33/95/00/518339500.db2.gz DLRMIGJEWSCHEG-LBPRGKRZSA-N 0 3 267.756 3.031 10 30 CGEEHN CCN[C@@H](C)c1ccc(F)cc1OCCCC#N ZINC000062746978 520076068 /nfs/dbraw/zinc/07/60/68/520076068.db2.gz XAQCMEIZQWCWPI-NSHDSACASA-N 0 3 250.317 3.179 10 30 CGEEHN CC[C@@H](C)SCc1ccc(F)cc1C#CCN ZINC000049611220 522274744 /nfs/dbraw/zinc/27/47/44/522274744.db2.gz ZOZWOCWQBIQLAB-LLVKDONJSA-N 0 3 251.370 3.168 10 30 CGEEHN Cc1ccc(C#N)c(N[C@H](C)CN2CCCCC2)c1 ZINC000051579937 525992988 /nfs/dbraw/zinc/99/29/88/525992988.db2.gz BHXOQQKKMCSUKU-CQSZACIVSA-N 0 3 257.381 3.153 10 30 CGEEHN C#CCN1CC[C@@](CCC)(c2cccc(OC)c2)C1 ZINC000033864851 344936507 /nfs/dbraw/zinc/93/65/07/344936507.db2.gz YDRJTYWSYJJAPR-QGZVFWFLSA-N 0 3 257.377 3.072 10 30 CGEEHN N#C[C@H]1CCCC[C@@H]1NCC1CCC(F)(F)CC1 ZINC000595692265 347339149 /nfs/dbraw/zinc/33/91/49/347339149.db2.gz VVWRSRYLHDMAQH-OLZOCXBDSA-N 0 3 256.340 3.484 10 30 CGEEHN N#C[C@@H]1CCC[C@H]1NCC1C2CC3CC(C2)CC1C3 ZINC000611409922 348448251 /nfs/dbraw/zinc/44/82/51/348448251.db2.gz KOIXTUSBFMTENN-DQQJZICDSA-N 0 3 258.409 3.341 10 30 CGEEHN CC(C)CN1CCC[C@@H]1CNc1snc(Cl)c1C#N ZINC000301774546 201188552 /nfs/dbraw/zinc/18/85/52/201188552.db2.gz NCUMZCLWTVBAEV-SNVBAGLBSA-N 0 3 298.843 3.200 10 30 CGEEHN N#C[C@@H]1CCC[C@H]1NC1CC(c2ccc(F)cc2)C1 ZINC000061891936 369611213 /nfs/dbraw/zinc/61/12/13/369611213.db2.gz JOMVIQGAWBQJER-ADNDVJRGSA-N 0 3 258.340 3.354 10 30 CGEEHN Cc1cnn([C@@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000249415188 377500348 /nfs/dbraw/zinc/50/03/48/377500348.db2.gz YXWCLEJRADHYBS-CRAIPNDOSA-N 0 3 294.402 3.461 10 30 CGEEHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cccs1 ZINC000192588285 392854067 /nfs/dbraw/zinc/85/40/67/392854067.db2.gz SPDRJTYJJBRSFQ-CHWSQXEVSA-N 0 3 280.437 3.212 10 30 CGEEHN C=CCC1(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CCC1 ZINC000249518299 261251730 /nfs/dbraw/zinc/25/17/30/261251730.db2.gz KQVJBKMFFHPLAF-DLBZAZTESA-N 0 3 298.430 3.294 10 30 CGEEHN C=CCCCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000076801861 264343954 /nfs/dbraw/zinc/34/39/54/264343954.db2.gz ZFTRXKCGMOKVRB-LSDHHAIUSA-N 0 3 274.408 3.150 10 30 CGEEHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000183676988 329249401 /nfs/dbraw/zinc/24/94/01/329249401.db2.gz IDNLEQUPKWOPOU-HUUCEWRRSA-N 0 3 292.467 3.215 10 30 CGEEHN C=CC[C@H](C(=O)N1CCCN(C2CC2)CC1)c1ccccc1 ZINC000188814470 329373551 /nfs/dbraw/zinc/37/35/51/329373551.db2.gz ZMQLAKBPJJHMMD-SFHVURJKSA-N 0 3 298.430 3.043 10 30 CGEEHN C=C(C)C[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000184954532 518635290 /nfs/dbraw/zinc/63/52/90/518635290.db2.gz VWBLNZIMYXHDQY-HOCLYGCPSA-N 0 3 274.408 3.008 10 30 CGEEHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000079308991 640392465 /nfs/dbraw/zinc/39/24/65/640392465.db2.gz IDUSWBSVQDPQBO-ZIAGYGMSSA-N 0 3 288.435 3.325 10 30 CGEEHN C=CC[C@H](c1ccncc1)/[N+]([O-])=C\c1ccccc1 ZINC000166087595 346186273 /nfs/dbraw/zinc/18/62/73/346186273.db2.gz CLANQCWLHLTVFP-APVMCDBPSA-N 0 3 253.325 3.220 10 30 CGEEHN N#C[C@@H]1CCCC[C@H]1NCCCOCc1ccccc1 ZINC000390049945 346573136 /nfs/dbraw/zinc/57/31/36/346573136.db2.gz GOKGSHJHTDCTEK-DLBZAZTESA-N 0 3 272.392 3.265 10 30 CGEEHN CC(C)(C)N1CCCOC[C@H]1c1ccc(C#N)cc1 ZINC000616644281 348855000 /nfs/dbraw/zinc/85/50/00/348855000.db2.gz AVRPIXUUPRNVIN-HNNXBMFYSA-N 0 3 258.365 3.120 10 30 CGEEHN N#Cc1ccccc1[C@H]1COCCN(Cc2ccccc2)C1 ZINC000616663568 348859712 /nfs/dbraw/zinc/85/97/12/348859712.db2.gz RJZQNNGDDFKQOO-GOSISDBHSA-N 0 3 292.382 3.174 10 30 CGEEHN Cc1ncsc1CN(C)CC1(C=O)CCCCC1 ZINC000104449360 186006205 /nfs/dbraw/zinc/00/62/05/186006205.db2.gz YAINIGHOYWLBFG-UHFFFAOYSA-N 0 3 266.410 3.033 10 30 CGEEHN C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cccs1 ZINC000037890346 369122416 /nfs/dbraw/zinc/12/24/16/369122416.db2.gz AURQAMMKZGAATP-BXUZGUMPSA-N 0 3 272.373 3.004 10 30 CGEEHN N#C[C@H]1CCC[C@H]1NC1CC(c2ccc(F)cc2)C1 ZINC000061891934 369610947 /nfs/dbraw/zinc/61/09/47/369610947.db2.gz JOMVIQGAWBQJER-FKFRUQKQSA-N 0 3 258.340 3.354 10 30 CGEEHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Cn2cccn2)CC1 ZINC000118398457 370614004 /nfs/dbraw/zinc/61/40/04/370614004.db2.gz UIYOUKOOBROVBK-HNNXBMFYSA-N 0 3 294.402 3.228 10 30 CGEEHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(Br)cc1 ZINC000309909852 542427081 /nfs/dbraw/zinc/42/70/81/542427081.db2.gz LZCCZLWYSYPUFM-GWCFXTLKSA-N 0 3 284.197 3.037 10 30 CGEEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccc(C#N)cc1C ZINC000186251340 392780464 /nfs/dbraw/zinc/78/04/64/392780464.db2.gz UKBCKWYVCIIQNC-SFHVURJKSA-N 0 3 294.402 3.036 10 30 CGEEHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccccc1C ZINC000119312048 267321628 /nfs/dbraw/zinc/32/16/28/267321628.db2.gz CJZAMEYEAFPIII-HZPDHXFCSA-N 0 3 286.419 3.235 10 30 CGEEHN CCCCSCc1ccc(C#CCN)cc1F ZINC000049611527 520957142 /nfs/dbraw/zinc/95/71/42/520957142.db2.gz WCQAFEITCNDISH-UHFFFAOYSA-N 0 3 251.370 3.169 10 30 CGEEHN CCCCOc1ccc(/C=C/C(=O)CCN(C)C)cc1 ZINC000005951571 344864055 /nfs/dbraw/zinc/86/40/55/344864055.db2.gz WQBJFGPHDZYGKY-RMKNXTFCSA-N 0 3 275.392 3.400 10 30 CGEEHN C[C@H](N[C@@H]1CCCSC1)c1ccc(C#N)s1 ZINC000127442095 187306563 /nfs/dbraw/zinc/30/65/63/187306563.db2.gz ZKMVYOAARZVUAE-VHSXEESVSA-N 0 3 252.408 3.166 10 30 CGEEHN CC#CC[C@@H](N)c1cccc(Br)c1F ZINC000232555452 346326040 /nfs/dbraw/zinc/32/60/40/346326040.db2.gz OPBSHHSNBPELAK-SNVBAGLBSA-N 0 3 256.118 3.001 10 30 CGEEHN CCCCC#CC1(O)CCN(CCc2ccccc2)CC1 ZINC000584636972 346700922 /nfs/dbraw/zinc/70/09/22/346700922.db2.gz OZEOHFXDZZLWPI-UHFFFAOYSA-N 0 3 285.431 3.250 10 30 CGEEHN C=CCCSCCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000595059359 347273885 /nfs/dbraw/zinc/27/38/85/347273885.db2.gz MYNTZQXBSIMOHB-LBPRGKRZSA-N 0 3 281.469 3.480 10 30 CGEEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1ccc(C#N)cc1 ZINC000610583219 348391315 /nfs/dbraw/zinc/39/13/15/348391315.db2.gz TZMRNCKEHYEYCB-ROUUACIJSA-N 0 3 283.419 3.007 10 30 CGEEHN CCCCCCCCN1CCN(C(C)(C)C#N)CC1 ZINC000110444222 186296548 /nfs/dbraw/zinc/29/65/48/186296548.db2.gz MWGDDQKDMSGYJK-UHFFFAOYSA-N 0 3 265.445 3.267 10 30 CGEEHN CC(C)(C#N)CCN1CCC[C@@H](c2nccs2)C1 ZINC000119924052 370723495 /nfs/dbraw/zinc/72/34/95/370723495.db2.gz WSLOMIQUZJODSY-GFCCVEGCSA-N 0 3 263.410 3.262 10 30 CGEEHN CN(CCCN[C@@H]1CCCC[C@H]1C#N)c1ccccc1 ZINC000249968433 377544613 /nfs/dbraw/zinc/54/46/13/377544613.db2.gz GPYWVWBDOQOABA-DOTOQJQBSA-N 0 3 271.408 3.185 10 30 CGEEHN N#CC1(c2ccc(Cl)cc2Cl)CCNCC1 ZINC000071576395 176204178 /nfs/dbraw/zinc/20/41/78/176204178.db2.gz HCEYOIWFWCKLDA-UHFFFAOYSA-N 0 3 255.148 3.138 10 30 CGEEHN Cc1cnn([C@H]2CCCN([C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000246403177 279035000 /nfs/dbraw/zinc/03/50/00/279035000.db2.gz PKTWQXFABGTYHM-QAPCUYQASA-N 0 3 294.402 3.461 10 30 CGEEHN C=CCN1CCC(NC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000183676952 329249430 /nfs/dbraw/zinc/24/94/30/329249430.db2.gz IDNLEQUPKWOPOU-CABCVRRESA-N 0 3 292.467 3.215 10 30 CGEEHN C(#Cc1ccccc1)CN[C@@H]1CCCC[C@H]1n1cccn1 ZINC000192204312 329432395 /nfs/dbraw/zinc/43/23/95/329432395.db2.gz RMDPVEMXMHOTHW-QZTJIDSGSA-N 0 3 279.387 3.008 10 30 CGEEHN CCCCSCc1ccc(OC)c(C#CCN)c1 ZINC000049611525 520956785 /nfs/dbraw/zinc/95/67/85/520956785.db2.gz OMALKKXCCGGQHS-UHFFFAOYSA-N 0 3 263.406 3.039 10 30 CGEEHN C#CC[C@H](NC)c1ccc(Cl)c(Br)c1 ZINC000126800732 346026850 /nfs/dbraw/zinc/02/68/50/346026850.db2.gz LLNSTHHLSGPJET-NSHDSACASA-N 0 3 272.573 3.386 10 30 CGEEHN C#CCC[C@@H](N)c1cccc(Br)c1F ZINC000236305672 346339940 /nfs/dbraw/zinc/33/99/40/346339940.db2.gz BUTIWCDZACAGJU-SNVBAGLBSA-N 0 3 256.118 3.001 10 30 CGEEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@H]1CCCC[C@@H]1C#N ZINC000389858209 346573633 /nfs/dbraw/zinc/57/36/33/346573633.db2.gz DCGGZQMSNMPLSN-YSHGAJCASA-N 0 3 297.446 3.179 10 30 CGEEHN NCc1cc(C(F)(F)F)c(C(F)(F)F)cc1F ZINC000514264549 346636169 /nfs/dbraw/zinc/63/61/69/346636169.db2.gz VNAVHJPHUKBBSX-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN CCOC1CCC(N[C@H]2CCCC[C@H]2C#N)CC1 ZINC000597194927 347548890 /nfs/dbraw/zinc/54/88/90/347548890.db2.gz BDXVMHVWLBFCTJ-PPWQZUPISA-N 0 3 250.386 3.006 10 30 CGEEHN C[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1cccs1 ZINC000037890343 369122683 /nfs/dbraw/zinc/12/26/83/369122683.db2.gz AURQAMMKZGAATP-FZMZJTMJSA-N 0 3 272.373 3.004 10 30 CGEEHN C#CCOc1ccc(Cl)cc1CN[C@H](C)CC ZINC000045945829 369288975 /nfs/dbraw/zinc/28/89/75/369288975.db2.gz QAKYKFQFANOFPJ-LLVKDONJSA-N 0 3 251.757 3.240 10 30 CGEEHN CCN1CCC[C@@H](Nc2cccc(Cl)c2C#N)C1 ZINC000052903958 392080168 /nfs/dbraw/zinc/08/01/68/392080168.db2.gz GSLSHAFGGAPRIL-LLVKDONJSA-N 0 3 263.772 3.108 10 30 CGEEHN CCN1CCC[C@@H](Nc2ccc(Cl)cc2C#N)C1 ZINC000052857571 392080479 /nfs/dbraw/zinc/08/04/79/392080479.db2.gz WLEFGAGMHVGUSX-CYBMUJFWSA-N 0 3 263.772 3.108 10 30 CGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000330254974 279515672 /nfs/dbraw/zinc/51/56/72/279515672.db2.gz JTGBSHZKCMXVSQ-UDUPFKKZSA-N 0 3 294.439 3.067 10 30 CGEEHN C[C@H](c1ccc(C#N)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160836698 290221780 /nfs/dbraw/zinc/22/17/80/290221780.db2.gz BRLMTXQAJKRLQF-ZTFGCOKTSA-N 0 3 284.403 3.246 10 30 CGEEHN C[C@@H](NCCOCCC#N)c1cccc(Br)c1 ZINC000339066487 335141442 /nfs/dbraw/zinc/14/14/42/335141442.db2.gz RSMFMKQZZVVAGV-LLVKDONJSA-N 0 3 297.196 3.030 10 30 CGEEHN CCCC1CCN(Cc2sccc2C#CCO)CC1 ZINC000050905163 519902692 /nfs/dbraw/zinc/90/26/92/519902692.db2.gz TUPWFJMCOICYAJ-UHFFFAOYSA-N 0 3 277.433 3.104 10 30 CGEEHN CCN[C@H](C)c1ccc(F)cc1OCCCC#N ZINC000062746979 520177529 /nfs/dbraw/zinc/17/75/29/520177529.db2.gz XAQCMEIZQWCWPI-LLVKDONJSA-N 0 3 250.317 3.179 10 30 CGEEHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2c2ccco2)cc1 ZINC000156420392 526687705 /nfs/dbraw/zinc/68/77/05/526687705.db2.gz KFVHVOUATKKOFU-CVEARBPZSA-N 0 3 282.343 3.022 10 30 CGEEHN C[C@H](C[C@@](C#N)(c1ccccc1)c1ccccn1)N(C)C ZINC000034629446 344941011 /nfs/dbraw/zinc/94/10/11/344941011.db2.gz KRAYOIGLBJNWHK-CRAIPNDOSA-N 0 3 279.387 3.231 10 30 CGEEHN CCc1ccc([C@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000068752992 345361541 /nfs/dbraw/zinc/36/15/41/345361541.db2.gz BEQRSZHUKCOOKQ-ZDUSSCGKSA-N 0 3 265.360 3.366 10 30 CGEEHN C#CC[C@@H](N)c1cc(Br)ccc1Cl ZINC000168564406 346191179 /nfs/dbraw/zinc/19/11/79/346191179.db2.gz QLKBDXIKGGZAST-SNVBAGLBSA-N 0 3 258.546 3.126 10 30 CGEEHN C=CCCSCCN[C@H](C)c1c(C)nn(CC)c1C ZINC000595059358 347273832 /nfs/dbraw/zinc/27/38/32/347273832.db2.gz MYNTZQXBSIMOHB-GFCCVEGCSA-N 0 3 281.469 3.480 10 30 CGEEHN CC#CCC[C@@H](N)c1sccc1Br ZINC000156801604 371995684 /nfs/dbraw/zinc/99/56/84/371995684.db2.gz HXQKSNKOEXADQK-SECBINFHSA-N 0 3 258.184 3.314 10 30 CGEEHN CCc1csc([C@@H]2CCCN(CCCC#N)C2)n1 ZINC000195379894 376099751 /nfs/dbraw/zinc/09/97/51/376099751.db2.gz NTMKIJZJFFMPEX-GFCCVEGCSA-N 0 3 263.410 3.189 10 30 CGEEHN N#Cc1c(C(F)(F)F)cc(CN)cc1C(F)(F)F ZINC000575341305 377882853 /nfs/dbraw/zinc/88/28/53/377882853.db2.gz SWHXXEGLODFXFV-UHFFFAOYSA-N 0 3 268.160 3.055 10 30 CGEEHN NCc1c(F)c(C(F)(F)F)ccc1C(F)(F)F ZINC000575379605 377891344 /nfs/dbraw/zinc/89/13/44/377891344.db2.gz DJWPARRPSLAPNN-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN Fc1ccc(C#CCN[C@@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000128305590 329606987 /nfs/dbraw/zinc/60/69/87/329606987.db2.gz ULDKJMLOJFSWLY-QZTJIDSGSA-N 0 3 297.377 3.147 10 30 CGEEHN CCN1CCC(N(C)c2ccc(Cl)cc2C#N)CC1 ZINC000052859734 521567724 /nfs/dbraw/zinc/56/77/24/521567724.db2.gz MFPPJDVBTFOOGF-UHFFFAOYSA-N 0 3 277.799 3.132 10 30 CGEEHN Cc1csc(SCc2ccc(C#CCN)cc2)n1 ZINC000049611430 526398629 /nfs/dbraw/zinc/39/86/29/526398629.db2.gz CIONKHUGMBOAEG-UHFFFAOYSA-N 0 3 274.414 3.054 10 30 CGEEHN NCC#Cc1cccc(CSc2cccs2)c1 ZINC000049611191 527152885 /nfs/dbraw/zinc/15/28/85/527152885.db2.gz AVCXXEXHQNKYJW-UHFFFAOYSA-N 0 3 259.399 3.351 10 30 CGEEHN C#CC[C@@H](NC)c1c(C)cccc1Br ZINC000306567858 346455599 /nfs/dbraw/zinc/45/55/99/346455599.db2.gz TUHJSJABYYZFKX-LLVKDONJSA-N 0 3 252.155 3.041 10 30 CGEEHN N#C[C@H]1CCCC[C@H]1NC1CCN(Cc2ccccc2)CC1 ZINC000309539121 346469275 /nfs/dbraw/zinc/46/92/75/346469275.db2.gz KGMIJMIKOGTRDO-IEBWSBKVSA-N 0 3 297.446 3.323 10 30 CGEEHN C=C(CN(C)C)[C@@H](O)c1ccc2c(c1)-c1ccccc1-2 ZINC000584624768 346696624 /nfs/dbraw/zinc/69/66/24/346696624.db2.gz PUIIJUVFISCZQU-GOSISDBHSA-N 0 3 265.356 3.485 10 30 CGEEHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)C12CCCC2 ZINC000093611018 370147719 /nfs/dbraw/zinc/14/77/19/370147719.db2.gz KDXCQWNUAWWGMK-HZPDHXFCSA-N 0 3 288.391 3.321 10 30 CGEEHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)o2)C12CCCC2 ZINC000093611017 370148045 /nfs/dbraw/zinc/14/80/45/370148045.db2.gz KDXCQWNUAWWGMK-HOTGVXAUSA-N 0 3 288.391 3.321 10 30 CGEEHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc(CC)cc1 ZINC000126585717 542041248 /nfs/dbraw/zinc/04/12/48/542041248.db2.gz YVUIYVQNMMYLNY-HNNXBMFYSA-N 0 3 286.419 3.100 10 30 CGEEHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000155219779 392539722 /nfs/dbraw/zinc/53/97/22/392539722.db2.gz JRWGOKXIIYZFJZ-LSDHHAIUSA-N 0 3 288.435 3.226 10 30 CGEEHN C=CCOc1ccc(CNCc2ccc(O)cc2)cc1 ZINC000101600305 261230830 /nfs/dbraw/zinc/23/08/30/261230830.db2.gz IVXZOTMBAXUEDB-UHFFFAOYSA-N 0 3 269.344 3.247 10 30 CGEEHN C#CCNCc1cccc(OCc2ccc(C)cc2)c1 ZINC000045945324 330350060 /nfs/dbraw/zinc/35/00/60/330350060.db2.gz IEMYNOMESDMPOR-UHFFFAOYSA-N 0 3 265.356 3.297 10 30 CGEEHN N#C[C@H]1CCC[C@H]1NC1CCC(C(F)(F)F)CC1 ZINC000085126264 330364289 /nfs/dbraw/zinc/36/42/89/330364289.db2.gz UQQVXXWOJHNZJE-HBIQZDMRSA-N 0 3 260.303 3.389 10 30 CGEEHN C[C@H](NCCOCCC#N)c1cccc(Br)c1 ZINC000339066488 335141296 /nfs/dbraw/zinc/14/12/96/335141296.db2.gz RSMFMKQZZVVAGV-NSHDSACASA-N 0 3 297.196 3.030 10 30 CGEEHN NCC#Cc1cc(F)ccc1CSc1cccs1 ZINC000049611192 527149104 /nfs/dbraw/zinc/14/91/04/527149104.db2.gz OVBORCXFVGMOAX-UHFFFAOYSA-N 0 3 277.389 3.490 10 30 CGEEHN CC(C#N)C(=O)c1cc(Br)ccc1Cl ZINC000037288049 344948841 /nfs/dbraw/zinc/94/88/41/344948841.db2.gz NTSYPXVBMDKHCH-LURJTMIESA-N 0 3 272.529 3.445 10 30 CGEEHN COc1ccc(C/[N+]([O-])=C/c2ccc(Cl)cc2)cc1 ZINC000225442538 346304033 /nfs/dbraw/zinc/30/40/33/346304033.db2.gz MYQPDTMFETZXOU-YVLHZVERSA-N 0 3 276.743 3.369 10 30 CGEEHN CO[C@H](CN[C@H]1CCCC[C@@H]1C#N)C1CCCCC1 ZINC000595692404 347338859 /nfs/dbraw/zinc/33/88/59/347338859.db2.gz XDMNKRULXPLOHW-OWCLPIDISA-N 0 3 264.413 3.254 10 30 CGEEHN CC(C)(C)N1CCCO[C@@H](c2cccc(C#N)c2)C1 ZINC000616599682 348841532 /nfs/dbraw/zinc/84/15/32/348841532.db2.gz YVWODSZXNXITKM-OAHLLOKOSA-N 0 3 258.365 3.120 10 30 CGEEHN C[C@H](c1cccc(C#N)c1)N1CCC(c2ccnn2C)CC1 ZINC000187670584 375067826 /nfs/dbraw/zinc/06/78/26/375067826.db2.gz MEEBTXBQMGKASH-CQSZACIVSA-N 0 3 294.402 3.232 10 30 CGEEHN CCCCCCCCN1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000192009150 375687702 /nfs/dbraw/zinc/68/77/02/375687702.db2.gz KDWOESAFRQIABC-INIZCTEOSA-N 0 3 298.471 3.218 10 30 CGEEHN CCCCCCCCN1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192009150 375687706 /nfs/dbraw/zinc/68/77/06/375687706.db2.gz KDWOESAFRQIABC-INIZCTEOSA-N 0 3 298.471 3.218 10 30 CGEEHN N#Cc1ccc([C@H](O)CN2CCC[C@H]2c2ccco2)cc1 ZINC000246004540 376952807 /nfs/dbraw/zinc/95/28/07/376952807.db2.gz KFVHVOUATKKOFU-JKSUJKDBSA-N 0 3 282.343 3.022 10 30 CGEEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)c1cccc(C#N)c1 ZINC000248942319 377432347 /nfs/dbraw/zinc/43/23/47/377432347.db2.gz OFOIFPGGWVAUCC-KDOFPFPSSA-N 0 3 294.402 3.289 10 30 CGEEHN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CCC1 ZINC000249518300 377511668 /nfs/dbraw/zinc/51/16/68/377511668.db2.gz KQVJBKMFFHPLAF-IAGOWNOFSA-N 0 3 298.430 3.294 10 30 CGEEHN N#Cc1c(CN)ccc(C(F)(F)F)c1C(F)(F)F ZINC000575381126 377892691 /nfs/dbraw/zinc/89/26/91/377892691.db2.gz VCRXFNQPWRGPSN-UHFFFAOYSA-N 0 3 268.160 3.055 10 30 CGEEHN C=CCOC[C@H](O)CN(CCC(C)C)Cc1ccsc1 ZINC000036099616 391975933 /nfs/dbraw/zinc/97/59/33/391975933.db2.gz GZKBGBAIKLZQDY-MRXNPFEDSA-N 0 3 297.464 3.160 10 30 CGEEHN CC#CCCN1CCC[C@H](c2nc(CC)cs2)C1 ZINC000155333568 392540719 /nfs/dbraw/zinc/54/07/19/392540719.db2.gz PNXBUZFZCVITOH-ZDUSSCGKSA-N 0 3 262.422 3.298 10 30 CGEEHN Cc1ccccc1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330259120 228083080 /nfs/dbraw/zinc/08/30/80/228083080.db2.gz NCFAIELNSAUFTR-MAZHCROVSA-N 0 3 288.391 3.129 10 30 CGEEHN C=C(Br)CN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000185603147 262306283 /nfs/dbraw/zinc/30/62/83/262306283.db2.gz DFBWWDPFVRLOSR-JQWIXIFHSA-N 0 3 282.181 3.049 10 30 CGEEHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCCc3c(O)cccc32)C1 ZINC000248990177 334323948 /nfs/dbraw/zinc/32/39/48/334323948.db2.gz NEMJNRQCUGRKRH-DVOMOZLQSA-N 0 3 270.376 3.442 10 30 CGEEHN N#C[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000250659636 334348088 /nfs/dbraw/zinc/34/80/88/334348088.db2.gz PNCDYZRTRBFVIV-BJDJZHNGSA-N 0 3 260.303 3.389 10 30 CGEEHN C#CCC[C@H](N)c1c(F)cccc1Br ZINC000165152466 346184266 /nfs/dbraw/zinc/18/42/66/346184266.db2.gz JGKAGMANSICEIC-JTQLQIEISA-N 0 3 256.118 3.001 10 30 CGEEHN C=C(C)[C@H](NC)c1ccc(F)c(Br)c1 ZINC000169238368 346192040 /nfs/dbraw/zinc/19/20/40/346192040.db2.gz PNCQPYSMPGVAIO-NSHDSACASA-N 0 3 258.134 3.425 10 30 CGEEHN CC(C)/C(CC(=O)C(C)(C)C)=N\[C@H](C)CN(C)C ZINC000223358564 346300922 /nfs/dbraw/zinc/30/09/22/346300922.db2.gz JTEMWFWZGIEFDW-CZWGUHTPSA-N 0 3 254.418 3.039 10 30 CGEEHN N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000380901899 346557416 /nfs/dbraw/zinc/55/74/16/346557416.db2.gz RWBXJZGYGQVVHR-OTWHNJEPSA-N 0 3 297.446 3.323 10 30 CGEEHN CC(C)(C)N1CCCO[C@H](c2cccc(C#N)c2)C1 ZINC000616650369 348856508 /nfs/dbraw/zinc/85/65/08/348856508.db2.gz YVWODSZXNXITKM-HNNXBMFYSA-N 0 3 258.365 3.120 10 30 CGEEHN CC(=NNC1=NCCCN1)c1ccc(C2CCCCC2)cc1 ZINC000091351696 180137514 /nfs/dbraw/zinc/13/75/14/180137514.db2.gz CGLYRPQIOFWKFR-KGENOOAVSA-N 0 3 298.434 3.397 10 30 CGEEHN C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cccs1 ZINC000037890345 369122089 /nfs/dbraw/zinc/12/20/89/369122089.db2.gz AURQAMMKZGAATP-SMDDNHRTSA-N 0 3 272.373 3.004 10 30 CGEEHN CC#CC[C@H](NC)c1ccc(Br)cc1 ZINC000051664988 369451432 /nfs/dbraw/zinc/45/14/32/369451432.db2.gz XDQYFDGPIMLIBH-LBPRGKRZSA-N 0 3 252.155 3.123 10 30 CGEEHN O=C1C=C(NN2CCCCc3ccccc32)CCC1 ZINC000163471067 372473639 /nfs/dbraw/zinc/47/36/39/372473639.db2.gz XPAJMETZTPAFGH-VKAVYKQESA-N 0 3 256.349 3.328 10 30 CGEEHN O[C@@H]1CCCC[C@@H]1[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000228490292 376438285 /nfs/dbraw/zinc/43/82/85/376438285.db2.gz XCXNMLNADKPSQI-CEXWTWQISA-N 0 3 283.415 3.054 10 30 CGEEHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)NC1CCC(C)CC1 ZINC000330258022 228083096 /nfs/dbraw/zinc/08/30/96/228083096.db2.gz MANBDRGDRICJTR-MLFCUSCDSA-N 0 3 294.439 3.067 10 30 CGEEHN C#CCCN[C@@H](C)c1ccccc1Br ZINC000070190960 260153860 /nfs/dbraw/zinc/15/38/60/260153860.db2.gz HPPGJHODPQFEDL-JTQLQIEISA-N 0 3 252.155 3.123 10 30 CGEEHN Cc1cnn([C@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000249415192 293006699 /nfs/dbraw/zinc/00/66/99/293006699.db2.gz YXWCLEJRADHYBS-QAPCUYQASA-N 0 3 294.402 3.461 10 30 CGEEHN NCC#Cc1ccc(CSc2cccs2)cc1 ZINC000049611186 527149833 /nfs/dbraw/zinc/14/98/33/527149833.db2.gz UFXCHVQYHBAPSL-UHFFFAOYSA-N 0 3 259.399 3.351 10 30 CGEEHN C#CCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091264561 618629504 /nfs/dbraw/zinc/62/95/04/618629504.db2.gz HYCJHZMSHWQKTF-CYBMUJFWSA-N 0 3 253.267 3.379 10 30 CGEEHN C=CCOc1cccc(CN2CCC[C@@H]2Cn2ccnc2)c1 ZINC000188397497 542247781 /nfs/dbraw/zinc/24/77/81/542247781.db2.gz YAMBQDALXQDXIW-QGZVFWFLSA-N 0 3 297.402 3.113 10 30 CGEEHN CCOC1CCC(N[C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000597194930 347548599 /nfs/dbraw/zinc/54/85/99/347548599.db2.gz BDXVMHVWLBFCTJ-XSCHDIRWSA-N 0 3 250.386 3.006 10 30 CGEEHN C=CCN1CCC[C@@H](N(C(=O)CC)c2ccccc2)CC1 ZINC000027988820 368879468 /nfs/dbraw/zinc/87/94/68/368879468.db2.gz VOOYWKHGNRDJHJ-QGZVFWFLSA-N 0 3 286.419 3.470 10 30 CGEEHN CCCCCCCCc1cccc(N2CCNCC2)n1 ZINC000043504328 369253403 /nfs/dbraw/zinc/25/34/03/369253403.db2.gz QLTOOEFESHVZJQ-UHFFFAOYSA-N 0 3 275.440 3.394 10 30 CGEEHN C#CCNCc1cccc(OCc2ccccc2C)c1 ZINC000045945410 369287751 /nfs/dbraw/zinc/28/77/51/369287751.db2.gz ZLJULGVCXSKEHD-UHFFFAOYSA-N 0 3 265.356 3.297 10 30 CGEEHN Cc1cnn([C@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC000187686257 375073346 /nfs/dbraw/zinc/07/33/46/375073346.db2.gz YXWCLEJRADHYBS-YJBOKZPZSA-N 0 3 294.402 3.461 10 30 CGEEHN CCN1CCC[C@H](Nc2ccc(C#N)c(Cl)c2)C1 ZINC000061846203 392129081 /nfs/dbraw/zinc/12/90/81/392129081.db2.gz LFCLKGQDGKOTJX-ZDUSSCGKSA-N 0 3 263.772 3.108 10 30 CGEEHN CCN1CCC[C@@H](Nc2cc(Cl)ccc2C#N)C1 ZINC000062785364 392133403 /nfs/dbraw/zinc/13/34/03/392133403.db2.gz HCKHPPVNGZOGIA-CYBMUJFWSA-N 0 3 263.772 3.108 10 30 CGEEHN C=CC[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1[O-] ZINC000019875919 170904547 /nfs/dbraw/zinc/90/45/47/170904547.db2.gz TXSZRTIPIAKMHO-QGZVFWFLSA-N 0 3 269.344 3.266 10 30 CGEEHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000155219459 260761576 /nfs/dbraw/zinc/76/15/76/260761576.db2.gz JRWGOKXIIYZFJZ-CABCVRRESA-N 0 3 288.435 3.226 10 30 CGEEHN C=C(C)CN1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000177409051 329184151 /nfs/dbraw/zinc/18/41/51/329184151.db2.gz KCTNYJJIDLXIEY-ZDUSSCGKSA-N 0 3 261.365 3.069 10 30 CGEEHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCOc3ccccc32)C1 ZINC000248919286 329902582 /nfs/dbraw/zinc/90/25/82/329902582.db2.gz WLQSOQXBHVFFIJ-UMVBOHGHSA-N 0 3 256.349 3.182 10 30 CGEEHN CC(C)(C#N)CCCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000232531350 333338295 /nfs/dbraw/zinc/33/82/95/333338295.db2.gz CQWJPTFYKTWAKC-LSDHHAIUSA-N 0 3 264.413 3.350 10 30 CGEEHN CNCc1cc(Br)ccc1OCCCCC#N ZINC000049578221 522104691 /nfs/dbraw/zinc/10/46/91/522104691.db2.gz GVTJMEXRXJNXSM-UHFFFAOYSA-N 0 3 297.196 3.241 10 30 CGEEHN N#C[C@H]1CCCCC[C@@H]1NCCc1cccc(F)c1 ZINC000054825290 526512147 /nfs/dbraw/zinc/51/21/47/526512147.db2.gz MAVMVWSRBDZCQQ-ZBFHGGJFSA-N 0 3 260.356 3.430 10 30 CGEEHN NCC#Cc1ccc(CSc2cccs2)c(F)c1 ZINC000049611190 527150840 /nfs/dbraw/zinc/15/08/40/527150840.db2.gz RSVYHJBRLUNFIH-UHFFFAOYSA-N 0 3 277.389 3.490 10 30 CGEEHN CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C#N)C12CCCC2 ZINC000250536596 346385895 /nfs/dbraw/zinc/38/58/95/346385895.db2.gz TYYJGBSTOGCXAQ-LJISPDSOSA-N 0 3 262.397 3.006 10 30 CGEEHN N#C[C@H]1CCC[C@H]1NCC1C2CC3CC(C2)CC1C3 ZINC000611409924 348448263 /nfs/dbraw/zinc/44/82/63/348448263.db2.gz KOIXTUSBFMTENN-UGGSAAARSA-N 0 3 258.409 3.341 10 30 CGEEHN FC(F)(F)c1cccc(CNC2=NCCCS2)c1 ZINC000034971965 368984253 /nfs/dbraw/zinc/98/42/53/368984253.db2.gz QOLRXSYJCUITAS-UHFFFAOYSA-N 0 3 274.311 3.288 10 30 CGEEHN C=CCC(CC=C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247990739 377253491 /nfs/dbraw/zinc/25/34/91/377253491.db2.gz JAJRBDXDEUWBFQ-ZWKOTPCHSA-N 0 3 298.430 3.316 10 30 CGEEHN CC(C)COc1ccc2ccccc2c1C#CCN ZINC000038077876 174088070 /nfs/dbraw/zinc/08/80/70/174088070.db2.gz DLUFPWNCYKOFDU-UHFFFAOYSA-N 0 3 253.345 3.185 10 30 CGEEHN N#C[C@@H]1CCC[C@H]1NC1CCC2(CCOCC2)CC1 ZINC000334155360 260142925 /nfs/dbraw/zinc/14/29/25/260142925.db2.gz VCSHDVPXBDNADR-DZGCQCFKSA-N 0 3 262.397 3.008 10 30 CGEEHN C=C(Br)CN[C@H](C)[C@@H]1COc2ccccc21 ZINC000185603168 262306411 /nfs/dbraw/zinc/30/64/11/262306411.db2.gz DFBWWDPFVRLOSR-PWSUYJOCSA-N 0 3 282.181 3.049 10 30 CGEEHN C=CCOCc1c(CN)sc2cccc(F)c21 ZINC000052598910 518995125 /nfs/dbraw/zinc/99/51/25/518995125.db2.gz GKQKEKXYNHPDLE-UHFFFAOYSA-N 0 3 251.326 3.202 10 30 CGEEHN Cc1ccc(C(C#N)C(=O)[C@H]2CCCCO2)cc1C ZINC000061682053 525676327 /nfs/dbraw/zinc/67/63/27/525676327.db2.gz DDEGZYUTCPQFEP-HUUCEWRRSA-N 0 3 257.333 3.049 10 30 CGEEHN CCN1CCC[C@H](Nc2nc3ccccc3cc2C#N)C1 ZINC000071385825 625084679 /nfs/dbraw/zinc/08/46/79/625084679.db2.gz JJALQVOGPOOJMH-HNNXBMFYSA-N 0 3 280.375 3.003 10 30 CGEEHN C=CC[C@@H](c1ccncc1)/[N+]([O-])=C\c1ccccc1 ZINC000166087363 346185987 /nfs/dbraw/zinc/18/59/87/346185987.db2.gz CLANQCWLHLTVFP-HZGBGQKMSA-N 0 3 253.325 3.220 10 30 CGEEHN C[C@H](CC#N)NCCCCCCCCN[C@@H](C)CC#N ZINC000584600254 346689207 /nfs/dbraw/zinc/68/92/07/346689207.db2.gz UEASPWPTZMVZLO-IYBDPMFKSA-N 0 3 278.444 3.111 10 30 CGEEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1ccc(C#N)cc1 ZINC000610583217 348391092 /nfs/dbraw/zinc/39/10/92/348391092.db2.gz TZMRNCKEHYEYCB-MSOLQXFVSA-N 0 3 283.419 3.007 10 30 CGEEHN NCc1ccc(C(F)(F)F)c(C(F)(F)F)c1F ZINC000575381393 377892665 /nfs/dbraw/zinc/89/26/65/377892665.db2.gz RTXTVJIWYBZAGV-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN CCN1CCC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000130953358 287367244 /nfs/dbraw/zinc/36/72/44/287367244.db2.gz RHMKTBOMNIAZGR-CYBMUJFWSA-N 0 3 297.324 3.473 10 30 CGEEHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)NCC1CCCCC1 ZINC000330242284 228077391 /nfs/dbraw/zinc/07/73/91/228077391.db2.gz GCRHZXULEFXXER-MAZHCROVSA-N 0 3 294.439 3.069 10 30 CGEEHN C[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccncc1 ZINC000086036301 260206290 /nfs/dbraw/zinc/20/62/90/260206290.db2.gz DPXNFVKISCKMTC-NNGSBXSVSA-N 0 3 277.371 3.356 10 30 CGEEHN COc1ccc([C@H](C)NCCC(C)(C)C#N)cc1OC ZINC000087591442 326992932 /nfs/dbraw/zinc/99/29/32/326992932.db2.gz PGTHPCCAKAJROJ-LBPRGKRZSA-N 0 3 276.380 3.294 10 30 CGEEHN C#CCNCc1cccc(OCc2ccccc2F)c1 ZINC000045945292 330350118 /nfs/dbraw/zinc/35/01/18/330350118.db2.gz JHIJZAATUBAIAF-UHFFFAOYSA-N 0 3 269.319 3.128 10 30 CGEEHN CCCCSCc1ccc(F)c(C#CCN)c1 ZINC000049611530 520957715 /nfs/dbraw/zinc/95/77/15/520957715.db2.gz CNBHXHVCWTUTCQ-UHFFFAOYSA-N 0 3 251.370 3.169 10 30 CGEEHN CCN1CCC[C@@H](Nc2nc3ccccc3cc2C#N)C1 ZINC000071385826 618087936 /nfs/dbraw/zinc/08/79/36/618087936.db2.gz JJALQVOGPOOJMH-OAHLLOKOSA-N 0 3 280.375 3.003 10 30 CGEEHN C#CCCOc1ccc(CN2CCS[C@@H](C)C2)cc1 ZINC000131379639 636646826 /nfs/dbraw/zinc/64/68/26/636646826.db2.gz VLDBLADTXXMZBJ-AWEZNQCLSA-N 0 3 275.417 3.026 10 30 CGEEHN CN(CCCN[C@H]1CCCC[C@@H]1C#N)c1ccccc1 ZINC000054823354 345139497 /nfs/dbraw/zinc/13/94/97/345139497.db2.gz GPYWVWBDOQOABA-WBVHZDCISA-N 0 3 271.408 3.185 10 30 CGEEHN C=C[C@@H](N)c1cc(Br)sc1Br ZINC000236312792 346339690 /nfs/dbraw/zinc/33/96/90/346339690.db2.gz ONIYAYGOLAKAOZ-RXMQYKEDSA-N 0 3 297.015 3.459 10 30 CGEEHN CCO[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2C#N)C12CCCC2 ZINC000250536593 346385931 /nfs/dbraw/zinc/38/59/31/346385931.db2.gz TYYJGBSTOGCXAQ-CBBWQLFWSA-N 0 3 262.397 3.006 10 30 CGEEHN COc1ccc([C@@H](C)NCCC(C)(C)C#N)cc1OC ZINC000087591443 370028465 /nfs/dbraw/zinc/02/84/65/370028465.db2.gz PGTHPCCAKAJROJ-GFCCVEGCSA-N 0 3 276.380 3.294 10 30 CGEEHN CCCN1CCCN(c2cc(Cl)ccc2C#N)CC1 ZINC000301410839 373773869 /nfs/dbraw/zinc/77/38/69/373773869.db2.gz YDKDVCAPGFEKPB-UHFFFAOYSA-N 0 3 277.799 3.134 10 30 CGEEHN CC(C)(C#N)c1ccccc1CN1CCN2CCCC[C@H]2C1 ZINC000246937210 377122563 /nfs/dbraw/zinc/12/25/63/377122563.db2.gz NLUWJKCIPJTEOB-KRWDZBQOSA-N 0 3 297.446 3.158 10 30 CGEEHN C=CCCCCCN(C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247523643 377219119 /nfs/dbraw/zinc/21/91/19/377219119.db2.gz ZGZPFCWVBWUNRB-HZPDHXFCSA-N 0 3 295.471 3.103 10 30 CGEEHN C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1cccs1 ZINC000037890344 184543510 /nfs/dbraw/zinc/54/35/10/184543510.db2.gz AURQAMMKZGAATP-RISCZKNCSA-N 0 3 272.373 3.004 10 30 CGEEHN Cc1ccc([C@H](C)NCCC(=O)Nc2cccc(C#N)c2)o1 ZINC000192806591 392860396 /nfs/dbraw/zinc/86/03/96/392860396.db2.gz FGAFONYGBUTSIU-ZDUSSCGKSA-N 0 3 297.358 3.139 10 30 CGEEHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccccc1C ZINC000119230943 416500726 /nfs/dbraw/zinc/50/07/26/416500726.db2.gz ZQNJGWQAROLPPX-HZPDHXFCSA-N 0 3 288.435 3.459 10 30 CGEEHN C=CCC[C@@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000249282583 261250440 /nfs/dbraw/zinc/25/04/40/261250440.db2.gz QNXTYJIJPDWMOR-ZWKOTPCHSA-N 0 3 298.430 3.043 10 30 CGEEHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCc3c(O)cccc32)C1 ZINC000248990180 334324019 /nfs/dbraw/zinc/32/40/19/334324019.db2.gz NEMJNRQCUGRKRH-IOASZLSFSA-N 0 3 270.376 3.442 10 30 CGEEHN CSCC1CCC(N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000385388649 336145137 /nfs/dbraw/zinc/14/51/37/336145137.db2.gz RPWOPKBGXITXBA-GNRIBBGQSA-N 0 3 252.427 3.190 10 30 CGEEHN CSCC1CCC(N[C@H]2CCC[C@H]2C#N)CC1 ZINC000385388651 336145360 /nfs/dbraw/zinc/14/53/60/336145360.db2.gz RPWOPKBGXITXBA-YIOUJQMASA-N 0 3 252.427 3.190 10 30 CGEEHN C=C(Cl)COc1ccc(Cl)cc1CNCCOC ZINC000062731051 518650730 /nfs/dbraw/zinc/65/07/30/518650730.db2.gz SFZQYBISVFNNRN-UHFFFAOYSA-N 0 3 290.190 3.207 10 30 CGEEHN CC(C)CSCc1ccc(C#CCN)cc1F ZINC000049611460 519769553 /nfs/dbraw/zinc/76/95/53/519769553.db2.gz HGOCAXNZQXJSQE-UHFFFAOYSA-N 0 3 251.370 3.025 10 30 CGEEHN N#CC1(CN2CCSC3(CCC3)CC2)CCC1 ZINC000334732641 534550394 /nfs/dbraw/zinc/55/03/94/534550394.db2.gz MGACWXJOSPLBNF-UHFFFAOYSA-N 0 3 250.411 3.042 10 30 CGEEHN NCC#Cc1ccccc1CSc1ccccc1 ZINC000049611258 527155293 /nfs/dbraw/zinc/15/52/93/527155293.db2.gz FGXFFCIOZLAOFO-UHFFFAOYSA-N 0 3 253.370 3.289 10 30 CGEEHN CCC(C#N)C(=O)c1cc(Br)ccc1F ZINC000036916058 344945681 /nfs/dbraw/zinc/94/56/81/344945681.db2.gz RRZMSJFBPSAXOI-ZETCQYMHSA-N 0 3 270.101 3.321 10 30 CGEEHN C[C@@H](N[C@H]1CCCSC1)c1ccc(C#N)s1 ZINC000127442785 187306327 /nfs/dbraw/zinc/30/63/27/187306327.db2.gz ZKMVYOAARZVUAE-ZJUUUORDSA-N 0 3 252.408 3.166 10 30 CGEEHN N#Cc1ccc(C(F)(F)F)c(CN)c1C(F)(F)F ZINC000514264497 346636238 /nfs/dbraw/zinc/63/62/38/346636238.db2.gz JYMCLWHKYVRVIA-UHFFFAOYSA-N 0 3 268.160 3.055 10 30 CGEEHN CCN1CC[C@@H]([C@@](C#N)(c2ccccc2)c2cccnc2)C1 ZINC000584633489 346699904 /nfs/dbraw/zinc/69/99/04/346699904.db2.gz NDMOYDOOJSHJCQ-MOPGFXCFSA-N 0 3 291.398 3.233 10 30 CGEEHN C=CCCC(C)(C)CNCc1csc(COC)n1 ZINC000631222378 350996628 /nfs/dbraw/zinc/99/66/28/350996628.db2.gz WTJXEORKOCTIFD-UHFFFAOYSA-N 0 3 268.426 3.372 10 30 CGEEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)c1cccc(C#N)c1 ZINC000248942324 377432828 /nfs/dbraw/zinc/43/28/28/377432828.db2.gz OFOIFPGGWVAUCC-RDTXWAMCSA-N 0 3 294.402 3.289 10 30 CGEEHN CCN1CCC[C@H](Nc2ccc(Cl)cc2C#N)C1 ZINC000052857569 392079540 /nfs/dbraw/zinc/07/95/40/392079540.db2.gz WLEFGAGMHVGUSX-ZDUSSCGKSA-N 0 3 263.772 3.108 10 30 CGEEHN C[C@H](COCc1ccccc1)NCc1ccc(C#N)c(F)c1 ZINC000404048561 392961924 /nfs/dbraw/zinc/96/19/24/392961924.db2.gz DJTKTXIHMWIOFZ-CQSZACIVSA-N 0 3 298.361 3.392 10 30 CGEEHN CC1(C)[C@H]2C[C@@H]1[C@@](C)(NCc1ccccc1)/C(=N/O)C2 ZINC000004754430 170012132 /nfs/dbraw/zinc/01/21/32/170012132.db2.gz NBODKULVIICHAN-DKRFIVJUSA-N 0 3 272.392 3.431 10 30 CGEEHN CC#CCN[C@H](C)c1cccc(Br)c1 ZINC000051663328 328627064 /nfs/dbraw/zinc/62/70/64/328627064.db2.gz WWEXXNPBHSJKDE-SNVBAGLBSA-N 0 3 252.155 3.123 10 30 CGEEHN Cc1csc([C@@H]2CCCN(CCCSCC#N)C2)n1 ZINC000173876529 329153118 /nfs/dbraw/zinc/15/31/18/329153118.db2.gz PLSNAOYZXHLNER-CYBMUJFWSA-N 0 3 295.477 3.278 10 30 CGEEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCCCC(C)(C)C#N ZINC000235360090 333368513 /nfs/dbraw/zinc/36/85/13/333368513.db2.gz GHEPZSUPOSPAOS-HZPDHXFCSA-N 0 3 277.456 3.265 10 30 CGEEHN CC[C@H](C)SCc1ccc(C#CCN)cc1F ZINC000049611217 521782524 /nfs/dbraw/zinc/78/25/24/521782524.db2.gz LXPSLSKVWJDXOW-NSHDSACASA-N 0 3 251.370 3.168 10 30 CGEEHN C[C@@H](CN1CCCCC1)Nc1ccc(C#N)cc1Cl ZINC000062791082 524606976 /nfs/dbraw/zinc/60/69/76/524606976.db2.gz UWENGSHXCCTJOZ-LBPRGKRZSA-N 0 3 277.799 3.498 10 30 CGEEHN C#CCCNCc1cc(Cl)ccc1OC(F)F ZINC000070245852 624991918 /nfs/dbraw/zinc/99/19/18/624991918.db2.gz ZFIVXGUNLYNRSE-UHFFFAOYSA-N 0 3 259.683 3.054 10 30 CGEEHN Cc1cccc([C@H](C)NCc2ccnc(C#N)c2)c1 ZINC000160254774 346170282 /nfs/dbraw/zinc/17/02/82/346170282.db2.gz TZFBFDBVQHQVSI-ZDUSSCGKSA-N 0 3 251.333 3.113 10 30 CGEEHN N#C[C@@H]1CCCC[C@@H]1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000602709889 348015172 /nfs/dbraw/zinc/01/51/72/348015172.db2.gz UCYWLWDPFRGZPG-GVRJEKJASA-N 0 3 274.408 3.006 10 30 CGEEHN C=CC[C@H](N)C(=O)NCCCCCCCCCC ZINC000106257466 186105837 /nfs/dbraw/zinc/10/58/37/186105837.db2.gz HWRWBALUTSGIQG-AWEZNQCLSA-N 0 3 254.418 3.147 10 30 CGEEHN CCCCCCCc1ccnc(N2CCNCC2)c1 ZINC000043504305 369253377 /nfs/dbraw/zinc/25/33/77/369253377.db2.gz IFPQMJFFWZAHSN-UHFFFAOYSA-N 0 3 261.413 3.004 10 30 CGEEHN CCOC(=O)C(C#N)Cc1cccc(Cl)c1Cl ZINC000074468346 369879068 /nfs/dbraw/zinc/87/90/68/369879068.db2.gz GSOAUIULIQZAHG-VIFPVBQESA-N 0 3 272.131 3.239 10 30 CGEEHN C=CCOc1ccccc1CNCC1(O)CCCCC1 ZINC000102426222 370304173 /nfs/dbraw/zinc/30/41/73/370304173.db2.gz YJQNCKFPVFDXHT-UHFFFAOYSA-N 0 3 275.392 3.036 10 30 CGEEHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000118396051 370613415 /nfs/dbraw/zinc/61/34/15/370613415.db2.gz UZZZIWHFDNGSAB-CYBMUJFWSA-N 0 3 280.375 3.222 10 30 CGEEHN CC(C)(C#N)c1ccccc1CN1CCN2CCCC[C@@H]2C1 ZINC000135243317 371405760 /nfs/dbraw/zinc/40/57/60/371405760.db2.gz NLUWJKCIPJTEOB-QGZVFWFLSA-N 0 3 297.446 3.158 10 30 CGEEHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2n2cccn2)cc1F ZINC000192204377 375711509 /nfs/dbraw/zinc/71/15/09/375711509.db2.gz RCISECUVJZGISH-DLBZAZTESA-N 0 3 298.365 3.167 10 30 CGEEHN C=CCCCCCN(C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000247523654 377219161 /nfs/dbraw/zinc/21/91/61/377219161.db2.gz ZGZPFCWVBWUNRB-JKSUJKDBSA-N 0 3 295.471 3.103 10 30 CGEEHN CC[C@@H](C)Oc1ccc2ccccc2c1C#CCN ZINC000038077885 174087956 /nfs/dbraw/zinc/08/79/56/174087956.db2.gz VDDGPTVFDSVRRQ-CYBMUJFWSA-N 0 3 253.345 3.327 10 30 CGEEHN Cc1ccccc1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000330259121 228083089 /nfs/dbraw/zinc/08/30/89/228083089.db2.gz NCFAIELNSAUFTR-RCBQFDQVSA-N 0 3 288.391 3.129 10 30 CGEEHN C#CCC[C@H](N)c1cccc(Br)c1F ZINC000236288149 346340002 /nfs/dbraw/zinc/34/00/02/346340002.db2.gz BUTIWCDZACAGJU-JTQLQIEISA-N 0 3 256.118 3.001 10 30 CGEEHN CO[C@H](CN[C@@H]1CCCC[C@@H]1C#N)C1CCCCC1 ZINC000595692400 347339120 /nfs/dbraw/zinc/33/91/20/347339120.db2.gz XDMNKRULXPLOHW-BZUAXINKSA-N 0 3 264.413 3.254 10 30 CGEEHN CN1CCC[C@H]1COc1cncc(C#CCCCCF)c1 ZINC000013611494 368658580 /nfs/dbraw/zinc/65/85/80/368658580.db2.gz HZRJVZGFTVHZGZ-INIZCTEOSA-N 0 3 290.382 3.046 10 30 CGEEHN C[C@H]1CN2CCCC[C@H]2CN1CCCCC(C)(C)C#N ZINC000300187775 261181438 /nfs/dbraw/zinc/18/14/38/261181438.db2.gz GHEPZSUPOSPAOS-HOTGVXAUSA-N 0 3 277.456 3.265 10 30 CGEEHN C#CCN1CCC(N[C@H](C)c2ccccc2Cl)CC1 ZINC000037219142 173036560 /nfs/dbraw/zinc/03/65/60/173036560.db2.gz GNVQOCYZHIGBCX-CYBMUJFWSA-N 0 3 276.811 3.088 10 30 CGEEHN CCCN(CCC)C(=O)C(C#N)Cc1ccccc1 ZINC000044809044 175257521 /nfs/dbraw/zinc/25/75/21/175257521.db2.gz GMZOQPAJCZXWQO-HNNXBMFYSA-N 0 3 258.365 3.017 10 30 CGEEHN C=CCOc1ccc([N+](=O)[O-])cc1CNC(C)(C)C ZINC000062732021 519049509 /nfs/dbraw/zinc/04/95/09/519049509.db2.gz ZMDUYWSRXANDQN-UHFFFAOYSA-N 0 3 264.325 3.048 10 30 CGEEHN Cc1nnc([C@H]2CCCN(Cc3cccc(C#N)c3)[C@H]2C)o1 ZINC000886077505 637401699 /nfs/dbraw/zinc/40/16/99/637401699.db2.gz BUCGXUTUFYIDTH-LRDDRELGSA-N 0 3 296.374 3.018 10 30 CGEEHN CC#CC[C@@H](NC)c1ccc(Br)s1 ZINC000070597903 345392493 /nfs/dbraw/zinc/39/24/93/345392493.db2.gz PSEHOOQDHJBTCX-MRVPVSSYSA-N 0 3 258.184 3.185 10 30 CGEEHN C=C[C@H](N)c1ccc(Br)cc1Br ZINC000229826799 346318527 /nfs/dbraw/zinc/31/85/27/346318527.db2.gz LMUGBXGUXTYRFH-VIFPVBQESA-N 0 3 290.986 3.397 10 30 CGEEHN C=C(C)[C@@H](N)c1ccc(F)cc1I ZINC000232557244 346326483 /nfs/dbraw/zinc/32/64/83/346326483.db2.gz OLGDJOVDHUEUNB-SNVBAGLBSA-N 0 3 291.107 3.006 10 30 CGEEHN N#C[C@@H]1CCCC[C@H]1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000380901898 346557821 /nfs/dbraw/zinc/55/78/21/346557821.db2.gz RWBXJZGYGQVVHR-IPMKNSEASA-N 0 3 297.446 3.323 10 30 CGEEHN N#Cc1cc(CN[C@H]2CCCC[C@@H]2n2cccn2)ccc1F ZINC000128446103 138393820 /nfs/dbraw/zinc/39/38/20/138393820.db2.gz LUMVRDBVAPBZHZ-IRXDYDNUSA-N 0 3 298.365 3.167 10 30 CGEEHN C=CCC[C@@H](O)CN(CCOC)Cc1cc(C)ccc1C ZINC000036031339 369007384 /nfs/dbraw/zinc/00/73/84/369007384.db2.gz NLLNCSPLOAIQKQ-GOSISDBHSA-N 0 3 291.435 3.079 10 30 CGEEHN C[C@H](COCc1ccccc1)NCc1ccc(C#N)cc1 ZINC000174619784 373346378 /nfs/dbraw/zinc/34/63/78/373346378.db2.gz DHIBWGQUZQFOLQ-OAHLLOKOSA-N 0 3 280.371 3.253 10 30 CGEEHN C=C(C)CN1CCC[C@H](c2nc(CC)cs2)C1 ZINC000195443155 376104255 /nfs/dbraw/zinc/10/42/55/376104255.db2.gz MCMHTHIRKWYUAL-LBPRGKRZSA-N 0 3 250.411 3.461 10 30 CGEEHN Cn1cc([C@H]2CCCN2CCCCC(C)(C)C#N)cn1 ZINC000277569561 379191006 /nfs/dbraw/zinc/19/10/06/379191006.db2.gz BFSZMIRCLFIBDO-OAHLLOKOSA-N 0 3 274.412 3.277 10 30 CGEEHN CCc1nccn1[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000105896452 392295502 /nfs/dbraw/zinc/29/55/02/392295502.db2.gz LGYWTRIIIHGNPO-QGZVFWFLSA-N 0 3 294.402 3.154 10 30 CGEEHN CCc1nccn1[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000105896453 392295582 /nfs/dbraw/zinc/29/55/82/392295582.db2.gz LGYWTRIIIHGNPO-KRWDZBQOSA-N 0 3 294.402 3.154 10 30 CGEEHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccccc1C ZINC000126770494 392443952 /nfs/dbraw/zinc/44/39/52/392443952.db2.gz VHFIHEWPRNJTDK-HNNXBMFYSA-N 0 3 274.408 3.070 10 30 CGEEHN Cc1cc([C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC000371961084 392570632 /nfs/dbraw/zinc/57/06/32/392570632.db2.gz DQOKXORRZASDRH-AWEZNQCLSA-N 0 3 298.365 3.109 10 30 CGEEHN Cc1cc([C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)[nH]n1 ZINC000371961084 392570635 /nfs/dbraw/zinc/57/06/35/392570635.db2.gz DQOKXORRZASDRH-AWEZNQCLSA-N 0 3 298.365 3.109 10 30 CGEEHN COc1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1OC ZINC000185789217 262071183 /nfs/dbraw/zinc/07/11/83/262071183.db2.gz CBVCVJZONWEWDV-KCQAQPDRSA-N 0 3 288.391 3.437 10 30 CGEEHN N#C[C@@H]1CCC[C@@H]1NC1CCC(C(F)(F)F)CC1 ZINC000085126271 330364425 /nfs/dbraw/zinc/36/44/25/330364425.db2.gz UQQVXXWOJHNZJE-XKGSQUFQSA-N 0 3 260.303 3.389 10 30 CGEEHN CC(C)CN(CCN(C)C)c1cccc(Cl)c1C#N ZINC000052908943 519717050 /nfs/dbraw/zinc/71/70/50/519717050.db2.gz XXSCCJRJFBGWGZ-UHFFFAOYSA-N 0 3 279.815 3.236 10 30 CGEEHN CC(C)(C)CC(=O)Nc1cc(C#CCN)ccc1Cl ZINC000061692023 518622380 /nfs/dbraw/zinc/62/23/80/518622380.db2.gz TUWVDQVOUKHLCC-UHFFFAOYSA-N 0 3 278.783 3.025 10 30 CGEEHN CC(C)CSCc1ccc(F)cc1C#CCN ZINC000049611462 519769838 /nfs/dbraw/zinc/76/98/38/519769838.db2.gz PRPUMRIHORPMEA-UHFFFAOYSA-N 0 3 251.370 3.025 10 30 CGEEHN N#Cc1ncccc1CN1CCC[C@H]1C1CCCC1 ZINC000061664553 526790276 /nfs/dbraw/zinc/79/02/76/526790276.db2.gz PZNXHEVGHUITJE-INIZCTEOSA-N 0 3 255.365 3.108 10 30 CGEEHN CCc1nccn1[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000192009345 536174113 /nfs/dbraw/zinc/17/41/13/536174113.db2.gz NLTKETZFESGXIG-GOSISDBHSA-N 0 3 293.414 3.134 10 30 CGEEHN C=CCC(CC=C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000121534568 370869848 /nfs/dbraw/zinc/86/98/48/370869848.db2.gz UBDLJEFYDCBRLR-QGZVFWFLSA-N 0 3 286.419 3.174 10 30 CGEEHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2n2cccn2)s1 ZINC000176980955 373645237 /nfs/dbraw/zinc/64/52/37/373645237.db2.gz AJQFHRUMUYJMRI-HUUCEWRRSA-N 0 3 286.404 3.090 10 30 CGEEHN CC#CCN[C@@H](C)c1cccc(Br)c1 ZINC000051663326 328627169 /nfs/dbraw/zinc/62/71/69/328627169.db2.gz WWEXXNPBHSJKDE-JTQLQIEISA-N 0 3 252.155 3.123 10 30 CGEEHN C[C@H](CCc1ccc2c(c1)OCO2)N[C@@H]1CCC[C@@H]1C#N ZINC000061891343 333475035 /nfs/dbraw/zinc/47/50/35/333475035.db2.gz JHGFQJFTMPTFSU-BPLDGKMQSA-N 0 3 286.375 3.018 10 30 CGEEHN C[C@H](CNc1cccc(Cl)c1C#N)N1CCCCC1 ZINC000052903891 524507966 /nfs/dbraw/zinc/50/79/66/524507966.db2.gz RPXYINOXCBNZOL-GFCCVEGCSA-N 0 3 277.799 3.498 10 30 CGEEHN C#CC[C@H](N)c1cccc(Br)c1Cl ZINC000168552222 346190605 /nfs/dbraw/zinc/19/06/05/346190605.db2.gz CSHPNEMOAOALQI-VIFPVBQESA-N 0 3 258.546 3.126 10 30 CGEEHN CC[C@@H](N)C#Cc1c(Cl)cccc1Br ZINC000307383723 346462228 /nfs/dbraw/zinc/46/22/28/346462228.db2.gz DDTZHZMIJRQLLR-MRVPVSSYSA-N 0 3 272.573 3.191 10 30 CGEEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1cccc(C#N)c1 ZINC000610583140 348391125 /nfs/dbraw/zinc/39/11/25/348391125.db2.gz QTAXXKODHKGXQK-ROUUACIJSA-N 0 3 283.419 3.007 10 30 CGEEHN N#Cc1ccccc1CN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253091986 283214365 /nfs/dbraw/zinc/21/43/65/283214365.db2.gz KJCVYTARFHCOAA-KURKYZTESA-N 0 3 284.403 3.074 10 30 CGEEHN CC#CC[C@@H](NC)c1ccc(Br)cc1 ZINC000051664990 369451352 /nfs/dbraw/zinc/45/13/52/369451352.db2.gz XDQYFDGPIMLIBH-GFCCVEGCSA-N 0 3 252.155 3.123 10 30 CGEEHN C(#Cc1ccccc1)CN[C@H]1CCCC[C@H]1n1cccn1 ZINC000192204319 375712171 /nfs/dbraw/zinc/71/21/71/375712171.db2.gz RMDPVEMXMHOTHW-ZWKOTPCHSA-N 0 3 279.387 3.008 10 30 CGEEHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2n2cccn2)cc1F ZINC000192204396 375712692 /nfs/dbraw/zinc/71/26/92/375712692.db2.gz RCISECUVJZGISH-SJORKVTESA-N 0 3 298.365 3.167 10 30 CGEEHN N#Cc1cccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246599351 377060734 /nfs/dbraw/zinc/06/07/34/377060734.db2.gz MMQXKNXPMKYQPI-DLBZAZTESA-N 0 3 296.370 3.239 10 30 CGEEHN NCc1c(C(F)(F)F)ccc(F)c1C(F)(F)F ZINC000575379553 377891772 /nfs/dbraw/zinc/89/17/72/377891772.db2.gz BIJXWSUBDSXJTI-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2ccnn2C)CC1 ZINC000118396032 392393326 /nfs/dbraw/zinc/39/33/26/392393326.db2.gz CLNRUNJPNNEVLA-CQSZACIVSA-N 0 3 294.402 3.232 10 30 CGEEHN CC[C@H](C)Oc1ccc2ccccc2c1C#CCN ZINC000038077886 174088317 /nfs/dbraw/zinc/08/83/17/174088317.db2.gz VDDGPTVFDSVRRQ-ZDUSSCGKSA-N 0 3 253.345 3.327 10 30 CGEEHN Cc1ccccc1NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330259119 228083316 /nfs/dbraw/zinc/08/33/16/228083316.db2.gz NCFAIELNSAUFTR-APHBMKBZSA-N 0 3 288.391 3.129 10 30 CGEEHN Cc1csc(C2CCN(CCCSCC#N)CC2)n1 ZINC000074989862 329865960 /nfs/dbraw/zinc/86/59/60/329865960.db2.gz UYXKGGMXBVOQAD-UHFFFAOYSA-N 0 3 295.477 3.278 10 30 CGEEHN C#CCOc1cccc(CNCc2cccs2)c1 ZINC000045945704 330350106 /nfs/dbraw/zinc/35/01/06/330350106.db2.gz PPPLRKAHMQSFIE-UHFFFAOYSA-N 0 3 257.358 3.050 10 30 CGEEHN COc1ccc(CC[C@H](C)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000251202321 334358127 /nfs/dbraw/zinc/35/81/27/334358127.db2.gz KXQOGAOAOONXPU-QRTARXTBSA-N 0 3 272.392 3.298 10 30 CGEEHN CSCC1CCC(N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000385388650 336145421 /nfs/dbraw/zinc/14/54/21/336145421.db2.gz RPWOPKBGXITXBA-HHTDUIENSA-N 0 3 252.427 3.190 10 30 CGEEHN C#CCOc1ccc(Cl)cc1CNCCCC ZINC000045945606 518325494 /nfs/dbraw/zinc/32/54/94/518325494.db2.gz CTKFCTORALJHFR-UHFFFAOYSA-N 0 3 251.757 3.242 10 30 CGEEHN CN1CCCC[C@H]1CNc1cccc(Cl)c1C#N ZINC000052904565 523800830 /nfs/dbraw/zinc/80/08/30/523800830.db2.gz LXQPUDIMODPVIZ-NSHDSACASA-N 0 3 263.772 3.108 10 30 CGEEHN N#C[C@H]1CCCC[C@@H]1NCCCOc1ccccc1 ZINC000054829580 526512534 /nfs/dbraw/zinc/51/25/34/526512534.db2.gz AKPCIRDISGRVRW-ZBFHGGJFSA-N 0 3 258.365 3.127 10 30 CGEEHN NCC#Cc1ccccc1CSCc1ccco1 ZINC000049611465 527155191 /nfs/dbraw/zinc/15/51/91/527155191.db2.gz BYFGCAMTEYDVOV-UHFFFAOYSA-N 0 3 257.358 3.023 10 30 CGEEHN CN(C)CCSc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092675669 345852050 /nfs/dbraw/zinc/85/20/50/345852050.db2.gz NZSXMKWBFXEQFW-UHFFFAOYSA-N 0 3 291.807 3.414 10 30 CGEEHN C#CCC[C@@H](N)c1c(F)cccc1Br ZINC000165152572 346184184 /nfs/dbraw/zinc/18/41/84/346184184.db2.gz JGKAGMANSICEIC-SNVBAGLBSA-N 0 3 256.118 3.001 10 30 CGEEHN CCN1CC[C@H]([C@@](C#N)(c2ccccc2)c2cccnc2)C1 ZINC000584633490 346699754 /nfs/dbraw/zinc/69/97/54/346699754.db2.gz NDMOYDOOJSHJCQ-OALUTQOASA-N 0 3 291.398 3.233 10 30 CGEEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1ccccc1C#N ZINC000610583124 348391482 /nfs/dbraw/zinc/39/14/82/348391482.db2.gz QNFBEOJOHAYFBP-ROUUACIJSA-N 0 3 283.419 3.007 10 30 CGEEHN CC(C)(C)N1CCO[C@H](c2ccccc2C#N)CC1 ZINC000616686328 348867645 /nfs/dbraw/zinc/86/76/45/348867645.db2.gz IKMFXPSLNFOUAG-HNNXBMFYSA-N 0 3 258.365 3.120 10 30 CGEEHN C=CCC(CC=C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000121534407 186979175 /nfs/dbraw/zinc/97/91/75/186979175.db2.gz UBDLJEFYDCBRLR-KRWDZBQOSA-N 0 3 286.419 3.174 10 30 CGEEHN CN(C)CCN=C(c1ccccc1)c1ccccc1 ZINC000027084686 368868175 /nfs/dbraw/zinc/86/81/75/368868175.db2.gz ACWROXRAMYHNGT-UHFFFAOYSA-N 0 3 252.361 3.086 10 30 CGEEHN C=CCCC(=O)c1ccc(OCCN2CCCC2)cc1 ZINC000575358994 377887579 /nfs/dbraw/zinc/88/75/79/377887579.db2.gz MAPANOIDPNCBPG-UHFFFAOYSA-N 0 3 273.376 3.310 10 30 CGEEHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cccs1 ZINC000192588271 392853391 /nfs/dbraw/zinc/85/33/91/392853391.db2.gz SPDRJTYJJBRSFQ-STQMWFEESA-N 0 3 280.437 3.212 10 30 CGEEHN CCNCc1ccc(-c2cccc(C#N)c2)cc1F ZINC000038070592 174081665 /nfs/dbraw/zinc/08/16/65/174081665.db2.gz ITPJGFPVSOSUOE-UHFFFAOYSA-N 0 3 254.308 3.474 10 30 CGEEHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccccc1C ZINC000119311833 267321707 /nfs/dbraw/zinc/32/17/07/267321707.db2.gz CJZAMEYEAFPIII-CVEARBPZSA-N 0 3 286.419 3.235 10 30 CGEEHN C=C(C)CN1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000177409074 329184018 /nfs/dbraw/zinc/18/40/18/329184018.db2.gz KCTNYJJIDLXIEY-CYBMUJFWSA-N 0 3 261.365 3.069 10 30 CGEEHN C=CCCOCc1csc(CNC(C)(C)C)n1 ZINC000052599257 518703644 /nfs/dbraw/zinc/70/36/44/518703644.db2.gz OAZPMVSYPHEFIR-UHFFFAOYSA-N 0 3 254.399 3.124 10 30 CGEEHN CC(C)(C)SCc1ccc(C#CCN)cc1F ZINC000049611230 518910976 /nfs/dbraw/zinc/91/09/76/518910976.db2.gz KHSHAQFVFIPIPQ-UHFFFAOYSA-N 0 3 251.370 3.168 10 30 CGEEHN C[C@H](CN1CCCCC1)Nc1ccc(C#N)cc1Cl ZINC000062791083 524334132 /nfs/dbraw/zinc/33/41/32/524334132.db2.gz UWENGSHXCCTJOZ-GFCCVEGCSA-N 0 3 277.799 3.498 10 30 CGEEHN COc1ccccc1C(=O)C(C#N)c1cccs1 ZINC000052902879 524363193 /nfs/dbraw/zinc/36/31/93/524363193.db2.gz OLPUZTVZDSFFPN-NSHDSACASA-N 0 3 257.314 3.247 10 30 CGEEHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000152399261 346141298 /nfs/dbraw/zinc/14/12/98/346141298.db2.gz MZJFFOWALINYLD-KSSFIOAISA-N 0 3 293.370 3.168 10 30 CGEEHN C#CC[C@@H](N)c1ccc(Br)cc1Cl ZINC000168604356 346191239 /nfs/dbraw/zinc/19/12/39/346191239.db2.gz RPROLHBVBZYOOT-SNVBAGLBSA-N 0 3 258.546 3.126 10 30 CGEEHN C#CC[C@@H](NC)c1cc(Cl)cc(Br)c1 ZINC000234436780 346331122 /nfs/dbraw/zinc/33/11/22/346331122.db2.gz JXSORJLDBJKPBC-LLVKDONJSA-N 0 3 272.573 3.386 10 30 CGEEHN C#CC[C@H](NC)c1cc(Cl)cc(Br)c1 ZINC000234434576 346331232 /nfs/dbraw/zinc/33/12/32/346331232.db2.gz JXSORJLDBJKPBC-NSHDSACASA-N 0 3 272.573 3.386 10 30 CGEEHN C#CC[C@H](NC)c1c(C)cccc1Br ZINC000306567860 346455517 /nfs/dbraw/zinc/45/55/17/346455517.db2.gz TUHJSJABYYZFKX-NSHDSACASA-N 0 3 252.155 3.041 10 30 CGEEHN N#Cc1cc(CN)c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000514264529 346636307 /nfs/dbraw/zinc/63/63/07/346636307.db2.gz HDUXFDKJEBAOLL-UHFFFAOYSA-N 0 3 268.160 3.055 10 30 CGEEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccccc1C#N ZINC000610583123 348391045 /nfs/dbraw/zinc/39/10/45/348391045.db2.gz QNFBEOJOHAYFBP-QZTJIDSGSA-N 0 3 283.419 3.007 10 30 CGEEHN C#CCN1CCC(N[C@@H](C)c2ccccc2Cl)CC1 ZINC000037219141 173037130 /nfs/dbraw/zinc/03/71/30/173037130.db2.gz GNVQOCYZHIGBCX-ZDUSSCGKSA-N 0 3 276.811 3.088 10 30 CGEEHN C[C@H](c1cccc(C#N)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000187698278 290246895 /nfs/dbraw/zinc/24/68/95/290246895.db2.gz WYJMPFMOSJBANW-ZTFGCOKTSA-N 0 3 284.403 3.246 10 30 CGEEHN N#C[C@H]1CCC[C@@H]1NC1CCC(C(F)(F)F)CC1 ZINC000085126270 330364414 /nfs/dbraw/zinc/36/44/14/330364414.db2.gz UQQVXXWOJHNZJE-YYJSSNLHSA-N 0 3 260.303 3.389 10 30 CGEEHN CC#CCOc1ccc(CNC2CC2)cc1Br ZINC000062702326 519345298 /nfs/dbraw/zinc/34/52/98/519345298.db2.gz XNIXZOMSABWCAS-UHFFFAOYSA-N 0 3 294.192 3.103 10 30 CGEEHN NCC#Cc1cccc(CSCc2ccco2)c1 ZINC000049611471 527153173 /nfs/dbraw/zinc/15/31/73/527153173.db2.gz YELLKTOGGQCZJL-UHFFFAOYSA-N 0 3 257.358 3.023 10 30 CGEEHN C#C[C@H](C)N[C@@H]1CCc2c1cccc2Br ZINC000229406146 623128746 /nfs/dbraw/zinc/12/87/46/623128746.db2.gz BNNOIGXQUCFZIU-TVQRCGJNSA-N 0 3 264.166 3.048 10 30 CGEEHN C=C(C)[C@@H](N)c1cccc(C)c1I ZINC000232557371 346325953 /nfs/dbraw/zinc/32/59/53/346325953.db2.gz QYPLWSGQZNGDFW-LLVKDONJSA-N 0 3 287.144 3.176 10 30 CGEEHN CCCCCCCCN1CCN2C(=O)N(CC)CC[C@@H]2C1 ZINC000584640022 346702393 /nfs/dbraw/zinc/70/23/93/346702393.db2.gz CMZVBDIZJOBXPR-MRXNPFEDSA-N 0 3 295.471 3.179 10 30 CGEEHN COc1ccccc1-c1ccncc1C(=O)/C=C/CN(C)C ZINC000584645300 346703291 /nfs/dbraw/zinc/70/32/91/346703291.db2.gz AKZQVBWHLIUQMG-SOFGYWHQSA-N 0 3 296.370 3.058 10 30 CGEEHN N#Cc1cc(CN[C@H]2CCCC[C@H]2n2cccn2)ccc1F ZINC000128445914 138393749 /nfs/dbraw/zinc/39/37/49/138393749.db2.gz LUMVRDBVAPBZHZ-DLBZAZTESA-N 0 3 298.365 3.167 10 30 CGEEHN C#CCOc1ccc(Cl)cc1CNCCC(C)C ZINC000045946004 369289013 /nfs/dbraw/zinc/28/90/13/369289013.db2.gz CTMVIINXJQGKEU-UHFFFAOYSA-N 0 3 265.784 3.488 10 30 CGEEHN C#CCOc1ccc(Cl)cc1CN[C@@H](C)CC ZINC000045945831 369289084 /nfs/dbraw/zinc/28/90/84/369289084.db2.gz QAKYKFQFANOFPJ-NSHDSACASA-N 0 3 251.757 3.240 10 30 CGEEHN CCN1CCCC[C@@H]1CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328652117 374373318 /nfs/dbraw/zinc/37/33/18/374373318.db2.gz JXJIIFULVSUHQF-UONOGXRCSA-N 0 3 295.427 3.107 10 30 CGEEHN C=CCC[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000189147321 375332566 /nfs/dbraw/zinc/33/25/66/375332566.db2.gz QNXTYJIJPDWMOR-QZTJIDSGSA-N 0 3 298.430 3.043 10 30 CGEEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCC(C)(C)C#N ZINC000245408955 376809585 /nfs/dbraw/zinc/80/95/85/376809585.db2.gz JWQKHSIJACUMLR-ILXRZTDVSA-N 0 3 292.423 3.122 10 30 CGEEHN NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1F ZINC000575339702 377880952 /nfs/dbraw/zinc/88/09/52/377880952.db2.gz NHUFDEUMXFVWOG-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN C[C@H](/C(=N/O)c1ccccc1)/[N+]([O-])=C\C=C\c1ccccc1 ZINC000575418157 377906390 /nfs/dbraw/zinc/90/63/90/377906390.db2.gz OOHNGTLKJDDCAA-FGQWWJISSA-O 0 3 295.362 3.439 10 30 CGEEHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccccc1C ZINC000126770739 392443945 /nfs/dbraw/zinc/44/39/45/392443945.db2.gz VHFIHEWPRNJTDK-OAHLLOKOSA-N 0 3 274.408 3.070 10 30 CGEEHN CCOC(=O)C(C#N)Cc1ccc(Cl)cc1Cl ZINC000040544834 174324188 /nfs/dbraw/zinc/32/41/88/174324188.db2.gz VIDKMJVFYHMDPT-SECBINFHSA-N 0 3 272.131 3.239 10 30 CGEEHN CC(C)(C#N)CCCCN1CCO[C@H]2CCCC[C@H]21 ZINC000300119222 261175827 /nfs/dbraw/zinc/17/58/27/261175827.db2.gz CQWJPTFYKTWAKC-CABCVRRESA-N 0 3 264.413 3.350 10 30 CGEEHN C[C@H](N[C@@H]1CCC[C@@H]1C#N)C1CCC(F)(F)CC1 ZINC000354672705 278271857 /nfs/dbraw/zinc/27/18/57/278271857.db2.gz XQDCJSVUZCVWIF-CYZMBNFOSA-N 0 3 256.340 3.482 10 30 CGEEHN C#CCOc1cccc(CNCc2ccc(F)cc2)c1 ZINC000045945846 330350063 /nfs/dbraw/zinc/35/00/63/330350063.db2.gz QEWNZCNKFOCNHN-UHFFFAOYSA-N 0 3 269.319 3.128 10 30 CGEEHN CC(C)CN(CCN(C)C)c1cc(Cl)ccc1C#N ZINC000062790057 519716651 /nfs/dbraw/zinc/71/66/51/519716651.db2.gz RRRMQUUNKYCGGM-UHFFFAOYSA-N 0 3 279.815 3.236 10 30 CGEEHN CCC(C#N)C(=O)c1cc(Br)ccc1F ZINC000036916059 344945611 /nfs/dbraw/zinc/94/56/11/344945611.db2.gz RRZMSJFBPSAXOI-SSDOTTSWSA-N 0 3 270.101 3.321 10 30 CGEEHN [O-]/[N+](=C\c1ccncc1)Cc1ccc2ccccc2c1 ZINC000225441504 346304087 /nfs/dbraw/zinc/30/40/87/346304087.db2.gz ABIQFCWOWCONGA-UNOMPAQXSA-N 0 3 263.320 3.256 10 30 CGEEHN C=C(C)C[C@H](N)c1c(F)c(F)c(F)c(F)c1F ZINC000229735873 346318226 /nfs/dbraw/zinc/31/82/26/346318226.db2.gz ASWUEXUJBIMJFJ-YFKPBYRVSA-N 0 3 251.198 3.348 10 30 CGEEHN Cc1cccc(NC(=N)NCc2ccccc2)c1C#N ZINC000307694098 346464970 /nfs/dbraw/zinc/46/49/70/346464970.db2.gz ZCJVHXXRUFVRDC-UHFFFAOYSA-N 0 3 264.332 3.003 10 30 CGEEHN CC(C)(C)N1CCCO[C@@H](c2ccccc2C#N)C1 ZINC000616599329 348841458 /nfs/dbraw/zinc/84/14/58/348841458.db2.gz SYSJSIZPJUEVCT-OAHLLOKOSA-N 0 3 258.365 3.120 10 30 CGEEHN CC(C)(C)N1CCO[C@@H](c2ccccc2C#N)CC1 ZINC000616666136 348859692 /nfs/dbraw/zinc/85/96/92/348859692.db2.gz IKMFXPSLNFOUAG-OAHLLOKOSA-N 0 3 258.365 3.120 10 30 CGEEHN N#Cc1cccc(OCCN2CCC[C@H]2c2ccco2)c1 ZINC000116289130 138365933 /nfs/dbraw/zinc/36/59/33/138365933.db2.gz IYDJVRHNJSHMHD-INIZCTEOSA-N 0 3 282.343 3.367 10 30 CGEEHN CCN1CCc2c(cccc2Nc2ccc(C#N)cn2)C1 ZINC000301718707 201156900 /nfs/dbraw/zinc/15/69/00/201156900.db2.gz YXGBVPMIIFBRIB-UHFFFAOYSA-N 0 3 278.359 3.075 10 30 CGEEHN N#Cc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1 ZINC000026477833 368859984 /nfs/dbraw/zinc/85/99/84/368859984.db2.gz GXUHQPSKNQPPHR-KRWDZBQOSA-N 0 3 273.339 3.275 10 30 CGEEHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)C12CCCC2 ZINC000093611019 370148357 /nfs/dbraw/zinc/14/83/57/370148357.db2.gz KDXCQWNUAWWGMK-CVEARBPZSA-N 0 3 288.391 3.321 10 30 CGEEHN COc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000248717884 377386441 /nfs/dbraw/zinc/38/64/41/377386441.db2.gz CBVCVJZONWEWDV-GUTXKFCHSA-N 0 3 288.391 3.437 10 30 CGEEHN NCc1c(C(F)(F)F)cc(F)cc1C(F)(F)F ZINC000575339746 377881252 /nfs/dbraw/zinc/88/12/52/377881252.db2.gz PHTPODCZEASTJM-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN C=C(C)[C@@H](CO)N[C@H](C)c1cccc(Br)c1 ZINC000381348251 542597360 /nfs/dbraw/zinc/59/73/60/542597360.db2.gz ZREVVWBIACNXRE-ZWNOBZJWSA-N 0 3 284.197 3.037 10 30 CGEEHN C#CCN1CCC(Nc2ccccc2C(C)C)CC1 ZINC000037198113 173024788 /nfs/dbraw/zinc/02/47/88/173024788.db2.gz VBHKRQKJEKSASI-UHFFFAOYSA-N 0 3 256.393 3.320 10 30 CGEEHN CCCCOc1ccc2ccccc2c1C#CCN ZINC000038077881 174087935 /nfs/dbraw/zinc/08/79/35/174087935.db2.gz VEGUOOMXSWZCGB-UHFFFAOYSA-N 0 3 253.345 3.329 10 30 CGEEHN N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000250659640 334348095 /nfs/dbraw/zinc/34/80/95/334348095.db2.gz PNCDYZRTRBFVIV-YFKTTZPYSA-N 0 3 260.303 3.389 10 30 CGEEHN C[C@H](CCc1ccc2c(c1)OCO2)N[C@@H]1CCC[C@H]1C#N ZINC000251192297 334358021 /nfs/dbraw/zinc/35/80/21/334358021.db2.gz JHGFQJFTMPTFSU-VHDGCEQUSA-N 0 3 286.375 3.018 10 30 CGEEHN CCN1CCC(N(C)c2cc(Cl)ccc2C#N)CC1 ZINC000062790047 521567582 /nfs/dbraw/zinc/56/75/82/521567582.db2.gz METZXDQRFQYARK-UHFFFAOYSA-N 0 3 277.799 3.132 10 30 CGEEHN COc1ccccc1C(=O)C(C#N)c1cccs1 ZINC000052902881 524362035 /nfs/dbraw/zinc/36/20/35/524362035.db2.gz OLPUZTVZDSFFPN-LLVKDONJSA-N 0 3 257.314 3.247 10 30 CGEEHN N#CC(C(=O)[C@@H]1CCCOC1)c1ccc(F)cc1Cl ZINC000062610773 526493667 /nfs/dbraw/zinc/49/36/67/526493667.db2.gz GOZWDGQLTZDCAL-BXKDBHETSA-N 0 3 281.714 3.082 10 30 CGEEHN C[C@H](C[C@](C#N)(c1ccccc1)c1ccccn1)N(C)C ZINC000034629448 344940658 /nfs/dbraw/zinc/94/06/58/344940658.db2.gz KRAYOIGLBJNWHK-QAPCUYQASA-N 0 3 279.387 3.231 10 30 CGEEHN N#C[C@@H]1CCCC[C@H]1N[C@@H]1CCc2ccccc2C1 ZINC000226616994 346307415 /nfs/dbraw/zinc/30/74/15/346307415.db2.gz UAWXLLCOPVTIQG-GVDBMIGSSA-N 0 3 254.377 3.216 10 30 CGEEHN NCc1cc(F)c(C(F)(F)F)cc1C(F)(F)F ZINC000514264518 346636501 /nfs/dbraw/zinc/63/65/01/346636501.db2.gz APSYYJKDMYMIBF-UHFFFAOYSA-N 0 3 261.140 3.322 10 30 CGEEHN C=CCC[C@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000189147296 375332529 /nfs/dbraw/zinc/33/25/29/375332529.db2.gz QNXTYJIJPDWMOR-MSOLQXFVSA-N 0 3 298.430 3.043 10 30 CGEEHN N#Cc1ccc(NC(=O)CN2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000245398419 376806569 /nfs/dbraw/zinc/80/65/69/376806569.db2.gz SOKUBVRAZYQGAB-DOTOQJQBSA-N 0 3 297.402 3.151 10 30 CGEEHN CCN1CCC[C@H](Nc2cccc(Cl)c2C#N)C1 ZINC000052903956 392080190 /nfs/dbraw/zinc/08/01/90/392080190.db2.gz GSLSHAFGGAPRIL-NSHDSACASA-N 0 3 263.772 3.108 10 30 CGEEHN CCSc1nc2c(c(-c3ccco3)c1C#N)CN(C)CC2 ZINC000040569912 174338594 /nfs/dbraw/zinc/33/85/94/174338594.db2.gz VPQCAMXPCSSVCS-UHFFFAOYSA-N 0 3 299.399 3.313 10 30 CGEEHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCOc3ccccc32)C1 ZINC000248919288 329902592 /nfs/dbraw/zinc/90/25/92/329902592.db2.gz WLQSOQXBHVFFIJ-VNHYZAJKSA-N 0 3 256.349 3.182 10 30 CGEEHN CNCc1cccc(Br)c1OCCCCC#N ZINC000049578359 522128311 /nfs/dbraw/zinc/12/83/11/522128311.db2.gz BMRQHDGRCBHQEP-UHFFFAOYSA-N 0 3 297.196 3.241 10 30 CGEEHN N#CC(C(=O)[C@H]1CCCOC1)c1ccc(F)cc1Cl ZINC000062610779 526507140 /nfs/dbraw/zinc/50/71/40/526507140.db2.gz GOZWDGQLTZDCAL-CABZTGNLSA-N 0 3 281.714 3.082 10 30 CGEEHN