smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164733615 720431726 /nfs/dbraw/zinc/43/17/26/720431726.db2.gz PZYUXMSMJJEPBP-UXHICEINSA-N 0 1 389.890 4.008 20 30 GIEDMN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000121335048 823165267 /nfs/dbraw/zinc/16/52/67/823165267.db2.gz GUGOTNBASWXBNC-OAHLLOKOSA-N 0 1 375.394 4.303 20 30 GIEDMN Cc1nc([C@@H](C)N(C)CCCc2[nH]nc(N)c2C#N)oc1-c1ccc(Cl)cc1 ZINC000121501099 823195357 /nfs/dbraw/zinc/19/53/57/823195357.db2.gz BDTCMENXLXARBF-CYBMUJFWSA-N 0 1 398.898 4.106 20 30 GIEDMN Cc1nc2scc(C3CC3)n2c1CN(C)CCOCc1ccc(C#N)cc1 ZINC000459567202 823221867 /nfs/dbraw/zinc/22/18/67/823221867.db2.gz JPQUNOROXQNCQY-UHFFFAOYSA-N 0 1 380.517 4.102 20 30 GIEDMN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1coc(-c2ccccc2)n1 ZINC000121755741 823244209 /nfs/dbraw/zinc/24/42/09/823244209.db2.gz OIKDEVZNYKHGBR-ZDUSSCGKSA-N 0 1 383.766 4.095 20 30 GIEDMN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000459662845 823244654 /nfs/dbraw/zinc/24/46/54/823244654.db2.gz BKVYMRDOZIJHFE-SJORKVTESA-N 0 1 383.467 4.129 20 30 GIEDMN C=CCc1cc(OCC)cc(CN2CCc3c(cccc3NC(C)=O)C2)c1O ZINC000057090473 823249111 /nfs/dbraw/zinc/24/91/11/823249111.db2.gz DKWTWQVBQPGNIN-UHFFFAOYSA-N 0 1 380.488 4.036 20 30 GIEDMN COc1ccc(C)cc1[C@H](C)NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000459685670 823250306 /nfs/dbraw/zinc/25/03/06/823250306.db2.gz FPZJZROJFQGGSB-IBGZPJMESA-N 0 1 379.504 4.218 20 30 GIEDMN Cc1cccc(N2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c1 ZINC000121982986 823288538 /nfs/dbraw/zinc/28/85/38/823288538.db2.gz GHSHPDXNKVUGEC-UHFFFAOYSA-N 0 1 385.515 4.094 20 30 GIEDMN COC(=O)Cc1cccc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000188706544 823289757 /nfs/dbraw/zinc/28/97/57/823289757.db2.gz GIUAQJNOBVADEQ-AWEZNQCLSA-N 0 1 384.844 4.155 20 30 GIEDMN N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000057450728 823299008 /nfs/dbraw/zinc/29/90/08/823299008.db2.gz LCVGCHDDAUWHCN-HNNXBMFYSA-N 0 1 382.514 4.395 20 30 GIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cccc(F)c3C#N)n2)cc1 ZINC000188760940 823299266 /nfs/dbraw/zinc/29/92/66/823299266.db2.gz QTAHCRSZUHWFBT-INIZCTEOSA-N 0 1 377.400 4.320 20 30 GIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000122102784 823306853 /nfs/dbraw/zinc/30/68/53/823306853.db2.gz HRKYWAGBCFAUKP-ZDUSSCGKSA-N 0 1 375.819 4.107 20 30 GIEDMN CCc1c(C(=O)C(C#N)c2nc3ccccc3n2C)cnn1-c1ccc(C)cc1 ZINC000122124267 823309733 /nfs/dbraw/zinc/30/97/33/823309733.db2.gz XXGKJVDTOJFTPV-KRWDZBQOSA-N 0 1 383.455 4.120 20 30 GIEDMN C[C@@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000011474539 818085363 /nfs/dbraw/zinc/08/53/63/818085363.db2.gz GIMFWJMSYIVNIS-SNVBAGLBSA-N 0 1 387.534 4.003 20 30 GIEDMN C[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000011474539 818085368 /nfs/dbraw/zinc/08/53/68/818085368.db2.gz GIMFWJMSYIVNIS-SNVBAGLBSA-N 0 1 387.534 4.003 20 30 GIEDMN CN(C)Cc1ccnc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1 ZINC000176909554 823321973 /nfs/dbraw/zinc/32/19/73/823321973.db2.gz LRYBQMBPEFEEKV-UHFFFAOYSA-N 0 1 388.496 4.418 20 30 GIEDMN Cc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c(C)n1Cc1ccncc1 ZINC000460371831 823367443 /nfs/dbraw/zinc/36/74/43/823367443.db2.gz CXRIKZMYGSPSBT-LJQANCHMSA-N 0 1 383.455 4.223 20 30 GIEDMN N#Cc1ccccc1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000023399762 818933715 /nfs/dbraw/zinc/93/37/15/818933715.db2.gz KPIVUQOXZXKEBH-UHFFFAOYSA-N 0 1 392.440 4.003 20 30 GIEDMN COc1ccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2C)N2CCCCC2)cc1 ZINC000058453626 823393945 /nfs/dbraw/zinc/39/39/45/823393945.db2.gz QUMHOMAABGUZDR-JOCHJYFZSA-N 0 1 392.503 4.224 20 30 GIEDMN O=C(CN1CCC[C@H]1c1cccs1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000026484070 820104022 /nfs/dbraw/zinc/10/40/22/820104022.db2.gz IGPICOXYIMBTCC-KRWDZBQOSA-N 0 1 392.446 4.072 20 30 GIEDMN N#Cc1ccc(OC[C@@H](O)CN[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000027209736 820209606 /nfs/dbraw/zinc/20/96/06/820209606.db2.gz CKCYXJDAYBIQGU-JTHBVZDNSA-N 0 1 392.886 4.331 20 30 GIEDMN CCN(CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccccc1Cl ZINC000027578711 820262579 /nfs/dbraw/zinc/26/25/79/820262579.db2.gz DXZKNMZJBDOHOM-IERDGZPVSA-N 0 1 399.922 4.178 20 30 GIEDMN CC[C@@H](NCCOCC(F)(F)C(F)(F)F)c1nc(C(F)(F)F)cs1 ZINC000189934447 823515496 /nfs/dbraw/zinc/51/54/96/823515496.db2.gz GXVBXJRJODZEKC-SSDOTTSWSA-N 0 1 386.308 4.417 20 30 GIEDMN CCCCN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc(C(C)C)cs3)cc2C1=O ZINC000177765936 823522747 /nfs/dbraw/zinc/52/27/47/823522747.db2.gz UPECMZZWSVGKJK-MRXNPFEDSA-N 0 1 395.484 4.153 20 30 GIEDMN CCCCN1C(=O)c2ccc(C(=O)C(C#N)c3nc(C(C)C)cs3)cc2C1=O ZINC000177765936 823522750 /nfs/dbraw/zinc/52/27/50/823522750.db2.gz UPECMZZWSVGKJK-MRXNPFEDSA-N 0 1 395.484 4.153 20 30 GIEDMN CCc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1Cc1ccccc1 ZINC000123650036 823529330 /nfs/dbraw/zinc/52/93/30/823529330.db2.gz MVUTWNUDFAIVNW-MRXNPFEDSA-N 0 1 398.388 4.398 20 30 GIEDMN CCc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1Cc1ccccc1 ZINC000123650036 823529332 /nfs/dbraw/zinc/52/93/32/823529332.db2.gz MVUTWNUDFAIVNW-MRXNPFEDSA-N 0 1 398.388 4.398 20 30 GIEDMN Cc1ccc(S(=O)(=O)Nc2ccc(C#N)c(Cl)c2)c(Br)c1 ZINC000037575747 821092960 /nfs/dbraw/zinc/09/29/60/821092960.db2.gz PAMPXLHPHQIIRC-UHFFFAOYSA-N 0 1 385.670 4.083 20 30 GIEDMN COc1ccc(-c2nn(Cc3ccccc3)cc2CN2CCC(C#N)CC2)cc1 ZINC000123708899 823533717 /nfs/dbraw/zinc/53/37/17/823533717.db2.gz NPYSPQYFSAUJRW-UHFFFAOYSA-N 0 1 386.499 4.343 20 30 GIEDMN N#CC(C(=O)Cc1ccc(OC(F)F)cc1)c1nc2ccccc2n1C(F)F ZINC000041558089 821210469 /nfs/dbraw/zinc/21/04/69/821210469.db2.gz LLWYSRLXNLHORS-CYBMUJFWSA-N 0 1 391.324 4.452 20 30 GIEDMN Cc1cc(C(C#N)C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)nc(C)n1 ZINC000041574500 821212496 /nfs/dbraw/zinc/21/24/96/821212496.db2.gz OLBHIDUIIDZBPL-HNNXBMFYSA-N 0 1 391.452 4.083 20 30 GIEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000042568519 821311540 /nfs/dbraw/zinc/31/15/40/821311540.db2.gz SHZRBKKNCCDSQP-QLJPJBMISA-N 0 1 384.427 4.117 20 30 GIEDMN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2cc(OC)ccc2OC)ccc1OC ZINC000180815433 821475810 /nfs/dbraw/zinc/47/58/10/821475810.db2.gz QGJKBUUFBXSCHM-RDJZCZTQSA-N 0 1 384.476 4.244 20 30 GIEDMN Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181312891 821751951 /nfs/dbraw/zinc/75/19/51/821751951.db2.gz DHGSSFIQVXZKIP-SFHVURJKSA-N 0 1 386.459 4.063 20 30 GIEDMN N#CC1(c2ccc(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000181418332 821815654 /nfs/dbraw/zinc/81/56/54/821815654.db2.gz UMBVZLQCEFNOIF-UHFFFAOYSA-N 0 1 393.918 4.290 20 30 GIEDMN CN(Cc1cccc(C#N)c1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045182352 822368185 /nfs/dbraw/zinc/36/81/85/822368185.db2.gz RZBINGWJZIAGOQ-UHFFFAOYSA-N 0 1 396.922 4.018 20 30 GIEDMN COc1ccccc1NC(=O)C1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000178505522 822386075 /nfs/dbraw/zinc/38/60/75/822386075.db2.gz MTRMRTLETHRCCB-UHFFFAOYSA-N 0 1 382.891 4.051 20 30 GIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)n1 ZINC000453625023 822395144 /nfs/dbraw/zinc/39/51/44/822395144.db2.gz GGJPFVJJIFBETG-MFKMUULPSA-N 0 1 396.390 4.476 20 30 GIEDMN C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(OC(F)F)c1 ZINC000179585890 822507201 /nfs/dbraw/zinc/50/72/01/822507201.db2.gz OPIVPINTQYKGPB-NSHDSACASA-N 0 1 379.794 4.102 20 30 GIEDMN Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(OC(F)F)c2)c(C#N)c1C ZINC000179595193 822509361 /nfs/dbraw/zinc/50/93/61/822509361.db2.gz XLLHRKQIQHCZEY-VXGBXAGGSA-N 0 1 377.391 4.047 20 30 GIEDMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCC(=O)Nc1sccc1C#N ZINC000183731621 822518186 /nfs/dbraw/zinc/51/81/86/822518186.db2.gz IZKOQPMIUVNOJS-LBPRGKRZSA-N 0 1 382.514 4.341 20 30 GIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2cccc(F)c2)CC1 ZINC000179685587 822526888 /nfs/dbraw/zinc/52/68/88/822526888.db2.gz OORMEAVWYDTASU-HNNXBMFYSA-N 0 1 383.492 4.437 20 30 GIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CCCO)c1ccccc1 ZINC000179733768 822538066 /nfs/dbraw/zinc/53/80/66/822538066.db2.gz AQESJOOEQATLFJ-HKUYNNGSSA-N 0 1 397.544 4.123 20 30 GIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)CN(Cc1ccccc1)c1ccccc1 ZINC000179783494 822552075 /nfs/dbraw/zinc/55/20/75/822552075.db2.gz LRYGQPIUPBLGCJ-NRFANRHFSA-N 0 1 394.478 4.456 20 30 GIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)C[C@@H](C)c2nccs2)c1 ZINC000183954215 822553440 /nfs/dbraw/zinc/55/34/40/822553440.db2.gz ILHUVEKXYNJLPY-QZTJIDSGSA-N 0 1 384.549 4.131 20 30 GIEDMN N#C[C@H](C(=O)Cn1c2ccccc2nc1SC(F)F)c1nc2ccccc2[nH]1 ZINC000047359431 822570586 /nfs/dbraw/zinc/57/05/86/822570586.db2.gz RKIMWPLTPGKZDH-LLVKDONJSA-N 0 1 397.410 4.104 20 30 GIEDMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000184348308 822620037 /nfs/dbraw/zinc/62/00/37/822620037.db2.gz YJINCUWPTMQBGB-ZDUSSCGKSA-N 0 1 394.475 4.419 20 30 GIEDMN Cn1cc(CNCc2ccc(Oc3ccccc3)nc2)c(-c2ccc(C#N)cc2)n1 ZINC000180157504 822629036 /nfs/dbraw/zinc/62/90/36/822629036.db2.gz CUEXQAOXBZNTRE-UHFFFAOYSA-N 0 1 395.466 4.436 20 30 GIEDMN COc1cc(C#N)ccc1OCCN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184521643 822650216 /nfs/dbraw/zinc/65/02/16/822650216.db2.gz FMQYKXSTCOAARP-HNNXBMFYSA-N 0 1 379.485 4.420 20 30 GIEDMN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1nc(-c2ccccc2)cs1 ZINC000184527545 822651292 /nfs/dbraw/zinc/65/12/92/822651292.db2.gz PTQGKJREWWGOAH-CYBMUJFWSA-N 0 1 382.514 4.423 20 30 GIEDMN N#Cc1ccc(CSc2ccccc2C(=O)Nc2nc(C3CCC3)n[nH]2)cc1 ZINC000184623023 822667168 /nfs/dbraw/zinc/66/71/68/822667168.db2.gz LMODGHXCYDGGQO-UHFFFAOYSA-N 0 1 389.484 4.488 20 30 GIEDMN N#Cc1ccc(CSc2ccccc2C(=O)Nc2n[nH]c(C3CCC3)n2)cc1 ZINC000184623023 822667169 /nfs/dbraw/zinc/66/71/69/822667169.db2.gz LMODGHXCYDGGQO-UHFFFAOYSA-N 0 1 389.484 4.488 20 30 GIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180410990 822677324 /nfs/dbraw/zinc/67/73/24/822677324.db2.gz XYWPPZPSBSCBPV-CABCVRRESA-N 0 1 398.488 4.278 20 30 GIEDMN COc1cccc(OC)c1Oc1ccc(CNCc2ccc(C#N)cc2)cn1 ZINC000048749707 822681200 /nfs/dbraw/zinc/68/12/00/822681200.db2.gz QZCIXHQCKFIJKD-UHFFFAOYSA-N 0 1 375.428 4.053 20 30 GIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc4c(c3)COC4)n2)cc1 ZINC000050206712 822721822 /nfs/dbraw/zinc/72/18/22/822721822.db2.gz GBFJSDVKGMDGSU-SFHVURJKSA-N 0 1 376.437 4.339 20 30 GIEDMN Cc1nn(C(C)(C)C)c(C)c1C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000051656164 822771968 /nfs/dbraw/zinc/77/19/68/822771968.db2.gz OBPFXPADFJUOLX-ZDUSSCGKSA-N 0 1 385.418 4.490 20 30 GIEDMN Cc1nn(C(C)(C)C)c(C)c1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000051656164 822771970 /nfs/dbraw/zinc/77/19/70/822771970.db2.gz OBPFXPADFJUOLX-ZDUSSCGKSA-N 0 1 385.418 4.490 20 30 GIEDMN CCOc1cccc2cc([C@@H](C)N[C@H](C)C(=O)Nc3ccccc3C#N)oc21 ZINC000052712346 822808253 /nfs/dbraw/zinc/80/82/53/822808253.db2.gz HSMJHZGWLXSEPN-HUUCEWRRSA-N 0 1 377.444 4.381 20 30 GIEDMN COc1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000174771363 822835005 /nfs/dbraw/zinc/83/50/05/822835005.db2.gz GAOGBGUAKSBTBG-UHFFFAOYSA-N 0 1 398.415 4.299 20 30 GIEDMN CC[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000185979405 822840485 /nfs/dbraw/zinc/84/04/85/822840485.db2.gz RTWPXNDHOOSYTG-CYBMUJFWSA-N 0 1 382.411 4.103 20 30 GIEDMN Cc1nc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)sc1SCC#N ZINC000053650690 822843797 /nfs/dbraw/zinc/84/37/97/822843797.db2.gz QKSIJWRMWSNIBC-UHFFFAOYSA-N 0 1 389.893 4.363 20 30 GIEDMN N#Cc1ccc(NCC(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000457363299 822870403 /nfs/dbraw/zinc/87/04/03/822870403.db2.gz MCWOEVKTIAZWQX-LJQANCHMSA-N 0 1 393.878 4.254 20 30 GIEDMN CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1Cl ZINC000457470644 822878175 /nfs/dbraw/zinc/87/81/75/822878175.db2.gz DTIRKXKFIPOTRM-BXWFABGCSA-N 0 1 376.932 4.104 20 30 GIEDMN C[C@@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)NC1(C#N)CCCCC1 ZINC000054462871 822887553 /nfs/dbraw/zinc/88/75/53/822887553.db2.gz TVUNUSCMGRFLJR-LLVKDONJSA-N 0 1 396.438 4.405 20 30 GIEDMN C=C(C)[C@@H](N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000186452005 822897867 /nfs/dbraw/zinc/89/78/67/822897867.db2.gz QJINOMBYUDOEQE-ORAYPTAESA-N 0 1 380.460 4.304 20 30 GIEDMN N#CC(C(=O)c1cccc(NC(=O)NC2CC2)c1)c1nc2ccccc2s1 ZINC000054802154 822913767 /nfs/dbraw/zinc/91/37/67/822913767.db2.gz SMJUSQHQTISFBC-OAHLLOKOSA-N 0 1 376.441 4.070 20 30 GIEDMN C=CCC1(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)CCOCC1 ZINC000569716113 822958253 /nfs/dbraw/zinc/95/82/53/822958253.db2.gz DQLKANNJDAPYFT-UHFFFAOYSA-N 0 1 388.471 4.450 20 30 GIEDMN C=CCC1(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)CCOCC1 ZINC000569716113 822958258 /nfs/dbraw/zinc/95/82/58/822958258.db2.gz DQLKANNJDAPYFT-UHFFFAOYSA-N 0 1 388.471 4.450 20 30 GIEDMN Cc1nc(SCC(=O)N(CCC#N)c2ccccc2)[nH]c1-c1ccccc1 ZINC000187140852 823016658 /nfs/dbraw/zinc/01/66/58/823016658.db2.gz NEQLEAYKLSDNLV-UHFFFAOYSA-N 0 1 376.485 4.424 20 30 GIEDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cccc(SCC#N)c1 ZINC000175708371 823024701 /nfs/dbraw/zinc/02/47/01/823024701.db2.gz CQTZBUPNKGXUHK-UHFFFAOYSA-N 0 1 397.569 4.412 20 30 GIEDMN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000460952376 823549536 /nfs/dbraw/zinc/54/95/36/823549536.db2.gz OPRCLDXULWNKDW-GOSISDBHSA-N 0 1 385.531 4.219 20 30 GIEDMN CCCN(CC(=O)N(C)Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000061001642 823572155 /nfs/dbraw/zinc/57/21/55/823572155.db2.gz JBUYAISESBMWPA-UHFFFAOYSA-N 0 1 375.925 4.144 20 30 GIEDMN CC[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccccc1OC(F)F ZINC000411457429 823576866 /nfs/dbraw/zinc/57/68/66/823576866.db2.gz WDHYKLCHWYZSIH-CABCVRRESA-N 0 1 391.443 4.067 20 30 GIEDMN COc1ccc2oc([C@H](C)N[C@@H]3CCN(c4sccc4C#N)C3=O)c(C)c2c1 ZINC000411517598 823583826 /nfs/dbraw/zinc/58/38/26/823583826.db2.gz GHTWGAUWJGMVNR-SUMWQHHRSA-N 0 1 395.484 4.139 20 30 GIEDMN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-c2ccccc2)o1 ZINC000190612244 823591515 /nfs/dbraw/zinc/59/15/15/823591515.db2.gz VDMWLYRMTSNNHJ-UTKZUKDTSA-N 0 1 385.467 4.270 20 30 GIEDMN Cc1cc2cc([C@H](C)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc2cc1C ZINC000190611693 823591675 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CCOc1cc(Cl)ccc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180339461 822666245 /nfs/dbraw/zinc/66/62/45/822666245.db2.gz BVRMYQDYYXBICP-UHFFFAOYSA-N 0 1 380.879 4.301 20 30 GIEDMN CCOc1cccc2cc([C@H](C)NCC(=O)N(CCC#N)c3ccccc3)oc21 ZINC000180354874 822669027 /nfs/dbraw/zinc/66/90/27/822669027.db2.gz LNUAQTRGGABFQX-KRWDZBQOSA-N 0 1 391.471 4.429 20 30 GIEDMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000184756394 822686582 /nfs/dbraw/zinc/68/65/82/822686582.db2.gz XRBPGRPSDHDQFN-TZMCWYRMSA-N 0 1 399.564 4.046 20 30 GIEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000184771989 822688762 /nfs/dbraw/zinc/68/87/62/822688762.db2.gz FAXUTVBBLKGPFP-UHFFFAOYSA-N 0 1 390.770 4.040 20 30 GIEDMN N#CC(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccn1 ZINC000049457255 822700926 /nfs/dbraw/zinc/70/09/26/822700926.db2.gz OKGRFQQLSIGKKT-MRXNPFEDSA-N 0 1 383.860 4.189 20 30 GIEDMN N#Cc1ccc(Oc2cccc(NC(=O)N3CCCC[C@H]3c3nnc[nH]3)c2)cc1 ZINC000185010389 822724818 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C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2nnc(COc3ccccc3)[n-]2)cc1 ZINC000186436589 822895304 /nfs/dbraw/zinc/89/53/04/822895304.db2.gz TXWJSOROCQWMOW-MRXNPFEDSA-N 0 1 398.894 4.366 20 30 GIEDMN N#Cc1cccc(OC2CCN(C(=O)c3c(O)cc(Cl)cc3Cl)CC2)c1 ZINC000175221179 822907742 /nfs/dbraw/zinc/90/77/42/822907742.db2.gz WITLLVUUPRHEIC-UHFFFAOYSA-N 0 1 391.254 4.254 20 30 GIEDMN N#Cc1ccc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000569399394 822916837 /nfs/dbraw/zinc/91/68/37/822916837.db2.gz SOBJQQAQARGQFT-QGZVFWFLSA-N 0 1 387.405 4.428 20 30 GIEDMN CCc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000569474320 822927435 /nfs/dbraw/zinc/92/74/35/822927435.db2.gz VRNCIWGSCWAJBK-WEYGHZABSA-N 0 1 382.529 4.024 20 30 GIEDMN Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055652165 822993499 /nfs/dbraw/zinc/99/34/99/822993499.db2.gz ZHFIGFILGHDAEN-UHFFFAOYSA-N 0 1 398.406 4.474 20 30 GIEDMN C[C@@H](NCCSCc1ccccc1C#N)c1ncc(Br)cc1F ZINC000187082531 823008271 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GIEDMN COc1cc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1F ZINC000190769442 823606745 /nfs/dbraw/zinc/60/67/45/823606745.db2.gz HYTOYWHCBOURSU-GFCCVEGCSA-N 0 1 380.466 4.029 20 30 GIEDMN N#CCCCOc1cccc(CNC2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000124715829 823620369 /nfs/dbraw/zinc/62/03/69/823620369.db2.gz UAOLTHALMDHPRT-UHFFFAOYSA-N 0 1 386.442 4.443 20 30 GIEDMN N#CC(C(=O)c1c[nH]nc1-c1cc2ccccc2o1)c1cnc2ccccc2n1 ZINC000190957643 823630395 /nfs/dbraw/zinc/63/03/95/823630395.db2.gz QUNDQAYCCKMFOH-CQSZACIVSA-N 0 1 379.379 4.256 20 30 GIEDMN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000063300353 823661145 /nfs/dbraw/zinc/66/11/45/823661145.db2.gz YSMWKZOQHKYOEQ-KRWDZBQOSA-N 0 1 391.298 4.293 20 30 GIEDMN COc1ccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2)N2CCCCC2)cc1 ZINC000125319090 823667526 /nfs/dbraw/zinc/66/75/26/823667526.db2.gz OLWNZOJICZEIAE-JOCHJYFZSA-N 0 1 392.503 4.110 20 30 GIEDMN O=C(COc1ccccc1F)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000063497670 823676262 /nfs/dbraw/zinc/67/62/62/823676262.db2.gz PLIQSXTTXQAEGH-UHFFFAOYSA-N 0 1 391.200 4.040 20 30 GIEDMN C[C@H](c1cc(F)ccc1F)N(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000063522169 823677391 /nfs/dbraw/zinc/67/73/91/823677391.db2.gz XUANMGHNOJMDPD-GFCCVEGCSA-N 0 1 389.471 4.408 20 30 GIEDMN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000191569350 823701541 /nfs/dbraw/zinc/70/15/41/823701541.db2.gz IBDFOGUPUIWQTK-UHFFFAOYSA-N 0 1 375.490 4.357 20 30 GIEDMN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000462001012 823790356 /nfs/dbraw/zinc/79/03/56/823790356.db2.gz RMIADDYGNBSEAT-HDICACEKSA-N 0 1 377.488 4.257 20 30 GIEDMN N#Cc1ccccc1NC(=O)CCN1CCC[C@H]1c1ccc(Br)cc1 ZINC000165624222 823856005 /nfs/dbraw/zinc/85/60/05/823856005.db2.gz OKDXGGOKMODBBX-IBGZPJMESA-N 0 1 398.304 4.486 20 30 GIEDMN N#Cc1ccc(Br)c(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000192142185 823877551 /nfs/dbraw/zinc/87/75/51/823877551.db2.gz PWMKJKPBILAGHK-ZWKOTPCHSA-N 0 1 393.231 4.219 20 30 GIEDMN N#Cc1ccccc1S(=O)(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000064938608 823916056 /nfs/dbraw/zinc/91/60/56/823916056.db2.gz IFEFIEZCAUMDRE-UHFFFAOYSA-N 0 1 392.480 4.118 20 30 GIEDMN Cc1nc(CN2CCCC23CCN(c2cc(Cl)cc(C#N)n2)CC3)cs1 ZINC001164694118 719807148 /nfs/dbraw/zinc/80/71/48/719807148.db2.gz VBEZQPOODTYXEI-UHFFFAOYSA-N 0 1 387.940 4.007 20 30 GIEDMN CCOc1ccc2c(c1)[C@H](NCc1ccc(OC)c(OCCCC#N)c1)CCO2 ZINC000187546868 823086440 /nfs/dbraw/zinc/08/64/40/823086440.db2.gz ZZBHHXUXOJRVBN-HXUWFJFHSA-N 0 1 396.487 4.390 20 30 GIEDMN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000176532708 823231029 /nfs/dbraw/zinc/23/10/29/823231029.db2.gz CGMPLJHZGFRUIH-INIZCTEOSA-N 0 1 390.395 4.432 20 30 GIEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000176532708 823231030 /nfs/dbraw/zinc/23/10/30/823231030.db2.gz CGMPLJHZGFRUIH-INIZCTEOSA-N 0 1 390.395 4.432 20 30 GIEDMN Cc1[nH]c(SCC(=O)Nc2ccc(CC#N)cc2)nc1Cc1ccccc1 ZINC000005165368 817555845 /nfs/dbraw/zinc/55/58/45/817555845.db2.gz KMGWOBIWNJJLMC-UHFFFAOYSA-N 0 1 376.485 4.106 20 30 GIEDMN CC(C)(C)c1nc2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2[nH]1 ZINC000409646665 823272664 /nfs/dbraw/zinc/27/26/64/823272664.db2.gz WKEHBKRZFQVDBX-UHFFFAOYSA-N 0 1 384.443 4.170 20 30 GIEDMN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(F)cc1F ZINC000008241091 818021947 /nfs/dbraw/zinc/02/19/47/818021947.db2.gz IRVHOBJRJWCYQR-GFCCVEGCSA-N 0 1 389.471 4.456 20 30 GIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000122153217 823313679 /nfs/dbraw/zinc/31/36/79/823313679.db2.gz FNNBGIWAGHFCOA-OAHLLOKOSA-N 0 1 394.272 4.244 20 30 GIEDMN C=CCn1c(C)cc(C(=O)CSc2nc(C=Cc3ccc(C)o3)n[nH]2)c1C ZINC000012840279 818187863 /nfs/dbraw/zinc/18/78/63/818187863.db2.gz AESQSXQGACFINS-CMDGGOBGSA-N 0 1 382.489 4.456 20 30 GIEDMN Cc1csc([C@@H](C#N)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)n1 ZINC000122320150 823337679 /nfs/dbraw/zinc/33/76/79/823337679.db2.gz BTDYVGTWSNALAT-RBUKOAKNSA-N 0 1 388.448 4.396 20 30 GIEDMN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)n1 ZINC000122320150 823337680 /nfs/dbraw/zinc/33/76/80/823337680.db2.gz BTDYVGTWSNALAT-RBUKOAKNSA-N 0 1 388.448 4.396 20 30 GIEDMN N#Cc1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1Cl ZINC000410009409 823370277 /nfs/dbraw/zinc/37/02/77/823370277.db2.gz JKBJFHLSVHWXFQ-UHFFFAOYSA-N 0 1 386.858 4.137 20 30 GIEDMN CC(C)N(Cc1cn2cc(Br)ccc2n1)Cc1ccc(C#N)cc1 ZINC000058398306 823385889 /nfs/dbraw/zinc/38/58/89/823385889.db2.gz XTVWPEPHZSNCIV-UHFFFAOYSA-N 0 1 383.293 4.379 20 30 GIEDMN Cc1cccc(N(CCC#N)C(=O)CN(Cc2ccc(C#N)cc2)C(C)C)c1C ZINC000058396965 823385908 /nfs/dbraw/zinc/38/59/08/823385908.db2.gz XLAWLKFKEVDCHZ-UHFFFAOYSA-N 0 1 388.515 4.332 20 30 GIEDMN C[C@H](N[C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccccc1C#N ZINC000122699342 823396953 /nfs/dbraw/zinc/39/69/53/823396953.db2.gz ZHXCGNQRIYMQHH-KBPBESRZSA-N 0 1 391.393 4.177 20 30 GIEDMN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122882533 823428444 /nfs/dbraw/zinc/42/84/44/823428444.db2.gz SFFSNYXPYDARSC-ZDUSSCGKSA-N 0 1 394.500 4.418 20 30 GIEDMN C[C@H](c1ccccc1Br)N(C)CCC(=O)Nc1sccc1C#N ZINC000122893048 823430041 /nfs/dbraw/zinc/43/00/41/823430041.db2.gz GXTDAPVPLOFABI-GFCCVEGCSA-N 0 1 392.322 4.404 20 30 GIEDMN C[N@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000026094084 820057192 /nfs/dbraw/zinc/05/71/92/820057192.db2.gz HKGBDVNMMIGQIX-UHFFFAOYSA-N 0 1 383.517 4.124 20 30 GIEDMN C[N@@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000026094084 820057203 /nfs/dbraw/zinc/05/72/03/820057203.db2.gz HKGBDVNMMIGQIX-UHFFFAOYSA-N 0 1 383.517 4.124 20 30 GIEDMN COc1ccccc1[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)N1CCCC1 ZINC000058860068 823463410 /nfs/dbraw/zinc/46/34/10/823463410.db2.gz JOKXIIDEKWWPEW-IBGZPJMESA-N 0 1 398.894 4.179 20 30 GIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000573296003 823477366 /nfs/dbraw/zinc/47/73/66/823477366.db2.gz BPHNARNHSYGNSG-CDNTWCJUSA-N 0 1 381.545 4.021 20 30 GIEDMN CC[C@@H](c1ccc(F)cc1F)N1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000410383676 823482249 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ZINC001164996969 722213530 /nfs/dbraw/zinc/21/35/30/722213530.db2.gz PNVOHBSEBPGCEH-DEOSSOPVSA-N 0 1 390.506 4.216 20 30 GIEDMN C=C(C)[C@H](NCc1ccc(O[C@@H](C)C(=O)OC)cc1)c1ccc(F)c(F)c1 ZINC000187445194 823065016 /nfs/dbraw/zinc/06/50/16/823065016.db2.gz LGTXPNPMHPJQRL-XOBRGWDASA-N 0 1 375.415 4.312 20 30 GIEDMN CC(C)(CCC#N)CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000570879837 823100868 /nfs/dbraw/zinc/10/08/68/823100868.db2.gz IWPZDVNLFFTIJG-UHFFFAOYSA-N 0 1 389.455 4.380 20 30 GIEDMN N#CC(C(=O)c1cc2sc(N3CCCC3)nc2s1)c1nc2ccccc2[nH]1 ZINC000571350126 823169284 /nfs/dbraw/zinc/16/92/84/823169284.db2.gz TYUPWDQCCNVRLE-NSHDSACASA-N 0 1 393.497 4.324 20 30 GIEDMN Cc1cccc2nc(CCC(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)[nH]c21 ZINC000176372648 823193437 /nfs/dbraw/zinc/19/34/37/823193437.db2.gz XKTAZFUZQUXDDI-MRXNPFEDSA-N 0 1 387.270 4.492 20 30 GIEDMN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188163525 823196725 /nfs/dbraw/zinc/19/67/25/823196725.db2.gz AERCTTDYYIIQGR-UHFFFAOYSA-N 0 1 383.407 4.275 20 30 GIEDMN COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000176534321 823231297 /nfs/dbraw/zinc/23/12/97/823231297.db2.gz NQFIDQXGTYCSKJ-OAHLLOKOSA-N 0 1 376.368 4.042 20 30 GIEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000176534321 823231301 /nfs/dbraw/zinc/23/13/01/823231301.db2.gz NQFIDQXGTYCSKJ-OAHLLOKOSA-N 0 1 376.368 4.042 20 30 GIEDMN N#Cc1ccc(CN2CCC(c3c[nH]c4ccc(F)cc43)CC2)c([N+](=O)[O-])c1 ZINC000571805807 823236957 /nfs/dbraw/zinc/23/69/57/823236957.db2.gz GDULSFTXRVBGQD-UHFFFAOYSA-N 0 1 378.407 4.466 20 30 GIEDMN CSc1ccccc1S(=O)(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000188434062 823240520 /nfs/dbraw/zinc/24/05/20/823240520.db2.gz XUWOYDQYJIYDAE-CYBMUJFWSA-N 0 1 378.544 4.461 20 30 GIEDMN CC(C)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)nn1-c1ccccc1 ZINC000121867175 823266394 /nfs/dbraw/zinc/26/63/94/823266394.db2.gz ATXIGHCRYRFDNT-QGZVFWFLSA-N 0 1 383.455 4.372 20 30 GIEDMN CC(C)(C)OC(=O)NCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCCC1 ZINC000176764176 823286705 /nfs/dbraw/zinc/28/67/05/823286705.db2.gz PSRJFUHBRITITG-AWEZNQCLSA-N 0 1 383.448 4.089 20 30 GIEDMN Cc1csc([C@H](C)NCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000572221872 823303507 /nfs/dbraw/zinc/30/35/07/823303507.db2.gz YVVJFTCEGYTWBI-YPMHNXCESA-N 0 1 388.562 4.189 20 30 GIEDMN Cc1cc(C)cc(NC(=S)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000017517669 818518105 /nfs/dbraw/zinc/51/81/05/818518105.db2.gz ZZIPVDMHEFHSOS-UHFFFAOYSA-N 0 1 378.545 4.080 20 30 GIEDMN Cc1ccc(NC(=S)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000017517663 818518134 /nfs/dbraw/zinc/51/81/34/818518134.db2.gz VWSYPDAGHFIUNG-UHFFFAOYSA-N 0 1 378.545 4.080 20 30 GIEDMN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(F)cc2[nH]cnc21 ZINC000058126517 823363694 /nfs/dbraw/zinc/36/36/94/823363694.db2.gz IMROOVLCBFFXFE-UHFFFAOYSA-N 0 1 387.374 4.322 20 30 GIEDMN C=C(C)Cn1c(-c2cccnc2)n[n-]c1=[NH+][C@H](C)[C@H](OC)c1ccccc1Cl ZINC000460395861 823375330 /nfs/dbraw/zinc/37/53/30/823375330.db2.gz VVRMRXRPQYVKJG-BEFAXECRSA-N 0 1 397.910 4.180 20 30 GIEDMN N#Cc1ccc(OC[C@H](O)CN[C@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000023678926 818973241 /nfs/dbraw/zinc/97/32/41/818973241.db2.gz GSPJSTAQYUKWTF-BWKNWUBXSA-N 0 1 398.462 4.423 20 30 GIEDMN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc3n[nH]cc32)cc1 ZINC000058515606 823402626 /nfs/dbraw/zinc/40/26/26/823402626.db2.gz CVOXXTOLEVTEEZ-UHFFFAOYSA-N 0 1 384.414 4.416 20 30 GIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000122859295 823424834 /nfs/dbraw/zinc/42/48/34/823424834.db2.gz JNGMOHIPEVSVMX-INIZCTEOSA-N 0 1 390.443 4.255 20 30 GIEDMN C[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Cl)cc1Cl ZINC000025867013 820032520 /nfs/dbraw/zinc/03/25/20/820032520.db2.gz NDAKMXNWNSFVEK-BBRMVZONSA-N 0 1 379.287 4.150 20 30 GIEDMN CN(C)[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)c1cccs1 ZINC000027680152 820274867 /nfs/dbraw/zinc/27/48/67/820274867.db2.gz PDLUOSRQYXLKTE-FQEVSTJZSA-N 0 1 375.497 4.319 20 30 GIEDMN O=C(CN1CCC[C@H]1c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000028173035 820315227 /nfs/dbraw/zinc/31/52/27/820315227.db2.gz LRPQTSQLEOOVON-FQEVSTJZSA-N 0 1 386.417 4.010 20 30 GIEDMN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000029782571 820517615 /nfs/dbraw/zinc/51/76/15/820517615.db2.gz XKFPJXXGGHXPMN-MWTRTKDXSA-N 0 1 396.450 4.108 20 30 GIEDMN COc1cc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1F ZINC000123259559 823486831 /nfs/dbraw/zinc/48/68/31/823486831.db2.gz YFXNREFZJHCBIO-OAHLLOKOSA-N 0 1 377.400 4.320 20 30 GIEDMN COc1cc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1F ZINC000123259559 823486833 /nfs/dbraw/zinc/48/68/33/823486833.db2.gz YFXNREFZJHCBIO-OAHLLOKOSA-N 0 1 377.400 4.320 20 30 GIEDMN C=C(Cl)COc1ccc(C(=O)/C=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 ZINC000059737678 823497538 /nfs/dbraw/zinc/49/75/38/823497538.db2.gz PJPPIBZVOJJKFN-FPYGCLRLSA-N 0 1 389.791 4.336 20 30 GIEDMN N#CCc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000032210486 820902844 /nfs/dbraw/zinc/90/28/44/820902844.db2.gz GMJXSGOSMATBQJ-UHFFFAOYSA-N 0 1 381.233 4.158 20 30 GIEDMN CC(C)(C)OC(=O)Nc1cccc(C(O)=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000041496048 821199223 /nfs/dbraw/zinc/19/92/23/821199223.db2.gz ZCCIDXKUNLZGGT-HNNXBMFYSA-N 0 1 376.416 4.400 20 30 GIEDMN N#C[C@@H](C(=O)CSc1ccc2ccccc2c1)c1nnc2n1CCCCC2 ZINC000041508025 821201147 /nfs/dbraw/zinc/20/11/47/821201147.db2.gz XGNLZMNCMBEEHX-SFHVURJKSA-N 0 1 376.485 4.126 20 30 GIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccc(NC(N)=O)cc3)n2)cc1 ZINC000041512237 821201919 /nfs/dbraw/zinc/20/19/19/821201919.db2.gz RXVBSXZQDPQRAW-INIZCTEOSA-N 0 1 376.441 4.099 20 30 GIEDMN Cc1ccc(-c2nc(CN3CCCN(Cc4ccc(C#N)cc4)CC3)co2)cc1 ZINC000043612003 821431001 /nfs/dbraw/zinc/43/10/01/821431001.db2.gz DFPWQIUELJDQMT-UHFFFAOYSA-N 0 1 386.499 4.230 20 30 GIEDMN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000180811337 821472840 /nfs/dbraw/zinc/47/28/40/821472840.db2.gz KATQPFRTVPZUHN-DOTOQJQBSA-N 0 1 383.448 4.444 20 30 GIEDMN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2cc(OC)ccc2OC)ccc1OC ZINC000180815486 821475652 /nfs/dbraw/zinc/47/56/52/821475652.db2.gz QGJKBUUFBXSCHM-NVXWUHKLSA-N 0 1 384.476 4.244 20 30 GIEDMN CC[C@@H](C#N)Oc1cc(CN[C@@H]2CCCOc3ccc(OC)cc32)ccc1OC ZINC000180817210 821477364 /nfs/dbraw/zinc/47/73/64/821477364.db2.gz KCEJNAVZQMAIAG-FXAWDEMLSA-N 0 1 396.487 4.388 20 30 GIEDMN COc1cc([C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000181214959 821701508 /nfs/dbraw/zinc/70/15/08/821701508.db2.gz FFUXRFJLMLKHCB-AWEZNQCLSA-N 0 1 393.405 4.434 20 30 GIEDMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000181570884 821884484 /nfs/dbraw/zinc/88/44/84/821884484.db2.gz KRQQIBPNZMQQPO-AVRDEDQJSA-N 0 1 399.560 4.413 20 30 GIEDMN N#Cc1ccsc1NC(=O)CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000181590665 821893564 /nfs/dbraw/zinc/89/35/64/821893564.db2.gz MXNRAIQSWVZZIZ-IBGZPJMESA-N 0 1 397.450 4.410 20 30 GIEDMN Cc1cccc(N(CCC#N)C(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000181827504 822009273 /nfs/dbraw/zinc/00/92/73/822009273.db2.gz FBCZGBJLQLUFQH-GOSISDBHSA-N 0 1 394.475 4.118 20 30 GIEDMN COc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)c(Br)c1 ZINC000181932821 822039148 /nfs/dbraw/zinc/03/91/48/822039148.db2.gz UBRHUTNNCVLKIU-CYBMUJFWSA-N 0 1 375.266 4.211 20 30 GIEDMN CC(C)Sc1ccc([C@H](C)NCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000182098564 822093123 /nfs/dbraw/zinc/09/31/23/822093123.db2.gz FJRZBKBBBICKKT-INIZCTEOSA-N 0 1 388.558 4.183 20 30 GIEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000182645257 822336996 /nfs/dbraw/zinc/33/69/96/822336996.db2.gz DXYUMMZDBGVJNU-IRXDYDNUSA-N 0 1 391.471 4.427 20 30 GIEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680130 822402306 /nfs/dbraw/zinc/40/23/06/822402306.db2.gz FGABRTARFBABTP-JKSUJKDBSA-N 0 1 387.505 4.219 20 30 GIEDMN N#CC(C(=O)c1ncccc1C(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000183504303 822487185 /nfs/dbraw/zinc/48/71/85/822487185.db2.gz UCCBABHTDIGPFZ-VIFPVBQESA-N 0 1 380.276 4.335 20 30 GIEDMN N#C[C@@H](C(=O)c1ncccc1C(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000183504303 822487186 /nfs/dbraw/zinc/48/71/86/822487186.db2.gz UCCBABHTDIGPFZ-VIFPVBQESA-N 0 1 380.276 4.335 20 30 GIEDMN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000454684794 822516904 /nfs/dbraw/zinc/51/69/04/822516904.db2.gz CMAHFMFOWSHDGP-HDICACEKSA-N 0 1 392.503 4.002 20 30 GIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(c2cccc(F)c2)CC1 ZINC000179685600 822526982 /nfs/dbraw/zinc/52/69/82/822526982.db2.gz OORMEAVWYDTASU-OAHLLOKOSA-N 0 1 383.492 4.437 20 30 GIEDMN Cc1cnc(C(C)(C)NCCC(=O)Nc2sc3c(c2C#N)CCCC3)s1 ZINC000183925298 822547997 /nfs/dbraw/zinc/54/79/97/822547997.db2.gz ZBJLQMDMPLFFAV-UHFFFAOYSA-N 0 1 388.562 4.117 20 30 GIEDMN Cn1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c(-c2ccccc2)n1 ZINC000179800326 822555351 /nfs/dbraw/zinc/55/53/51/822555351.db2.gz IALFPOCNEKXYJD-AWEZNQCLSA-N 0 1 391.381 4.322 20 30 GIEDMN COc1cccc(-c2nc(C)c(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)[nH]2)c1 ZINC000179811017 822557713 /nfs/dbraw/zinc/55/77/13/822557713.db2.gz GZHXJYBRKPSTGO-MRXNPFEDSA-N 0 1 393.418 4.072 20 30 GIEDMN C=CCc1ccc(OCC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c(OC)c1 ZINC000179833719 822562556 /nfs/dbraw/zinc/56/25/56/822562556.db2.gz JJVNQSUBTAKYEG-UHFFFAOYSA-N 0 1 387.386 4.255 20 30 GIEDMN C=CCc1cc(CN2CCC(C(=O)c3ccc(OC)cc3)CC2)cc(OC)c1O ZINC000179880985 822570766 /nfs/dbraw/zinc/57/07/66/822570766.db2.gz PQBDOBSWROVEPF-UHFFFAOYSA-N 0 1 395.499 4.233 20 30 GIEDMN Cn1cc(CN(Cc2cccs2)C[C@@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000179889384 822572042 /nfs/dbraw/zinc/57/20/42/822572042.db2.gz XWLUGOWGLRNMKA-FQEVSTJZSA-N 0 1 392.528 4.201 20 30 GIEDMN Cc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1C ZINC000048829614 822685084 /nfs/dbraw/zinc/68/50/84/822685084.db2.gz OCIIMEMSKHTLTB-OAHLLOKOSA-N 0 1 384.361 4.393 20 30 GIEDMN Cc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1C ZINC000048829614 822685086 /nfs/dbraw/zinc/68/50/86/822685086.db2.gz OCIIMEMSKHTLTB-OAHLLOKOSA-N 0 1 384.361 4.393 20 30 GIEDMN N#CC(C(=O)c1sccc1Br)c1ccc(C(F)(F)F)cn1 ZINC000048829184 822685183 /nfs/dbraw/zinc/68/51/83/822685183.db2.gz MBKALTXXZCAYDU-MRVPVSSYSA-N 0 1 375.169 4.414 20 30 GIEDMN N#C[C@@H](C(=O)c1sccc1Br)c1ccc(C(F)(F)F)cn1 ZINC000048829184 822685185 /nfs/dbraw/zinc/68/51/85/822685185.db2.gz MBKALTXXZCAYDU-MRVPVSSYSA-N 0 1 375.169 4.414 20 30 GIEDMN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000048828737 822685210 /nfs/dbraw/zinc/68/52/10/822685210.db2.gz ZLOVTQDQBDLJNE-MRXNPFEDSA-N 0 1 384.361 4.393 20 30 GIEDMN Cc1nn(-c2ccccc2)c(C)c1C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000048828737 822685211 /nfs/dbraw/zinc/68/52/11/822685211.db2.gz ZLOVTQDQBDLJNE-MRXNPFEDSA-N 0 1 384.361 4.393 20 30 GIEDMN Cc1cccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c1F ZINC000180480750 822689029 /nfs/dbraw/zinc/68/90/29/822689029.db2.gz FDMSTQFRJNVIDO-UHFFFAOYSA-N 0 1 397.431 4.302 20 30 GIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc4c(c3)COC4)n2)cc1 ZINC000050206713 822721832 /nfs/dbraw/zinc/72/18/32/822721832.db2.gz GBFJSDVKGMDGSU-GOSISDBHSA-N 0 1 376.437 4.339 20 30 GIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cccc(NC(N)=O)c3)n2)cc1 ZINC000051150907 822748453 /nfs/dbraw/zinc/74/84/53/822748453.db2.gz GTEBWPXUBOOMEW-INIZCTEOSA-N 0 1 376.441 4.099 20 30 GIEDMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000052778842 822810584 /nfs/dbraw/zinc/81/05/84/822810584.db2.gz WVNJSUVHZBERRO-UHFFFAOYSA-N 0 1 376.338 4.330 20 30 GIEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000053527297 822839042 /nfs/dbraw/zinc/83/90/42/822839042.db2.gz APZJWLIJYFOJTD-UHFFFAOYSA-N 0 1 390.447 4.022 20 30 GIEDMN N#Cc1ccccc1NC(=O)CCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000054425370 822883925 /nfs/dbraw/zinc/88/39/25/822883925.db2.gz KFEZFAZPJYPETH-SFHVURJKSA-N 0 1 376.485 4.334 20 30 GIEDMN N#Cc1ccsc1NC(=O)CSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000054462469 822887498 /nfs/dbraw/zinc/88/74/98/822887498.db2.gz ULKWPIRBXYHDBM-UHFFFAOYSA-N 0 1 382.392 4.246 20 30 GIEDMN COc1ccc(-c2nc(SCc3cccc(F)c3F)[nH]c(=O)c2C#N)cc1 ZINC000054749528 822909942 /nfs/dbraw/zinc/90/99/42/822909942.db2.gz ROZPXEFLRGERGS-UHFFFAOYSA-N 0 1 385.395 4.300 20 30 GIEDMN Cc1cc(N2CCCCCC2)ccc1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000569449961 822924855 /nfs/dbraw/zinc/92/48/55/822924855.db2.gz UWWQKJCNUYMFOP-UHFFFAOYSA-N 0 1 397.544 4.133 20 30 GIEDMN COc1cccc([C@@H](C)N2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000570247600 823018879 /nfs/dbraw/zinc/01/88/79/823018879.db2.gz HCJYLFCMIJMAKZ-OAHLLOKOSA-N 0 1 389.421 4.469 20 30 GIEDMN N#C[C@H](C(=O)c1cn[nH]c1-c1ccsc1)c1nc2ccccc2n1C(F)F ZINC000187268548 823033596 /nfs/dbraw/zinc/03/35/96/823033596.db2.gz QGJPXUKLWIOSGV-LLVKDONJSA-N 0 1 383.383 4.373 20 30 GIEDMN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000460952377 823549486 /nfs/dbraw/zinc/54/94/86/823549486.db2.gz OPRCLDXULWNKDW-SFHVURJKSA-N 0 1 385.531 4.219 20 30 GIEDMN CCCN(Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000411162137 823553206 /nfs/dbraw/zinc/55/32/06/823553206.db2.gz CQWKAPBEYIMKQI-INIZCTEOSA-N 0 1 380.448 4.014 20 30 GIEDMN CCCN(CC(=O)N(C)Cc1c(F)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000061001677 823572193 /nfs/dbraw/zinc/57/21/93/823572193.db2.gz CJBVTAJUXZAASH-UHFFFAOYSA-N 0 1 387.886 4.221 20 30 GIEDMN N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc1O ZINC000190438576 823574110 /nfs/dbraw/zinc/57/41/10/823574110.db2.gz ZFTNJDQMDUTWEZ-UHFFFAOYSA-N 0 1 381.775 4.015 20 30 GIEDMN CCOc1cccc2cc([C@H](C)N[C@H]3CCN(c4sccc4C#N)C3=O)oc21 ZINC000411528925 823585112 /nfs/dbraw/zinc/58/51/12/823585112.db2.gz HSAKRSDQHXFZAN-BBRMVZONSA-N 0 1 395.484 4.221 20 30 GIEDMN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000190632405 823593783 /nfs/dbraw/zinc/59/37/83/823593783.db2.gz MTXHQNDCAMKXSQ-YJYMSZOUSA-N 0 1 388.298 4.317 20 30 GIEDMN COc1cc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1F ZINC000190769425 823606726 /nfs/dbraw/zinc/60/67/26/823606726.db2.gz HYTOYWHCBOURSU-LBPRGKRZSA-N 0 1 380.466 4.029 20 30 GIEDMN N#C[C@@H](C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1cnc2ccccc2n1 ZINC000190886837 823619930 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COc1cccc([C@H](C)N2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000570247595 823019004 /nfs/dbraw/zinc/01/90/04/823019004.db2.gz HCJYLFCMIJMAKZ-HNNXBMFYSA-N 0 1 389.421 4.469 20 30 GIEDMN COc1ccc2oc([C@@H](C)N[C@@H]3CCN(c4sccc4C#N)C3=O)c(C)c2c1 ZINC000411517595 823583415 /nfs/dbraw/zinc/58/34/15/823583415.db2.gz GHTWGAUWJGMVNR-CXAGYDPISA-N 0 1 395.484 4.139 20 30 GIEDMN CCOc1cccc2cc([C@@H](C)N[C@@H]3CCN(c4sccc4C#N)C3=O)oc21 ZINC000411528927 823585208 /nfs/dbraw/zinc/58/52/08/823585208.db2.gz HSAKRSDQHXFZAN-CZUORRHYSA-N 0 1 395.484 4.221 20 30 GIEDMN CCN(C(=O)Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1)c1ccccc1 ZINC000190773766 823607186 /nfs/dbraw/zinc/60/71/86/823607186.db2.gz QYPJSNOYENDJDE-UHFFFAOYSA-N 0 1 399.450 4.112 20 30 GIEDMN N#CC(C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1cnc2ccccc2n1 ZINC000190906828 823622584 /nfs/dbraw/zinc/62/25/84/823622584.db2.gz HKVIHKQDJXOWSS-KRWDZBQOSA-N 0 1 379.423 4.183 20 30 GIEDMN N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1cnc2ccccc2n1 ZINC000190906828 823622586 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GIEDMN COc1ccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2)N2CCCCC2)cc1 ZINC000125319308 823667583 /nfs/dbraw/zinc/66/75/83/823667583.db2.gz OLWNZOJICZEIAE-QFIPXVFZSA-N 0 1 392.503 4.110 20 30 GIEDMN Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000063497684 823676235 /nfs/dbraw/zinc/67/62/35/823676235.db2.gz CXFIXFHUIZTIOK-UHFFFAOYSA-N 0 1 387.237 4.210 20 30 GIEDMN C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2cc(OC)ccn2)CC1 ZINC000191505083 823692687 /nfs/dbraw/zinc/69/26/87/823692687.db2.gz WGDTWQUYMQIMLP-UHFFFAOYSA-N 0 1 394.519 4.296 20 30 GIEDMN CC(C)N(CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000063751226 823693582 /nfs/dbraw/zinc/69/35/82/823693582.db2.gz JZIAKMXWPRKJOP-HSZRJFAPSA-N 0 1 375.516 4.305 20 30 GIEDMN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000191515011 823694200 /nfs/dbraw/zinc/69/42/00/823694200.db2.gz AOOOGEGCITTZME-IBGZPJMESA-N 0 1 385.552 4.115 20 30 GIEDMN C[C@@H](C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cccc(C#N)c1 ZINC000461802865 823697727 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Cc1cccc(NC(=O)C(C#N)C(=O)c2csc(Cc3ccc(F)cc3)n2)c1 ZINC000170709710 823950446 /nfs/dbraw/zinc/95/04/46/823950446.db2.gz MGLTWJIATPGHFX-QGZVFWFLSA-N 0 1 393.443 4.143 20 30 GIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1CCCc2c(O)cccc21 ZINC000192351669 823955998 /nfs/dbraw/zinc/95/59/98/823955998.db2.gz QNTDTTFFMJMNNP-QAPCUYQASA-N 0 1 395.528 4.392 20 30 GIEDMN N#Cc1c(NC(=O)CCN2CCC[C@@H](C(F)(F)F)C2)sc2c1CCCC2 ZINC000011218975 221113769 /nfs/dbraw/zinc/11/37/69/221113769.db2.gz BJKJHWAQGDCMBH-GFCCVEGCSA-N 0 1 385.455 4.101 20 30 GIEDMN Cc1nc(CN2CCCC23CCN(c2ccc(Cl)c(C#N)n2)CC3)cs1 ZINC001164693420 719804944 /nfs/dbraw/zinc/80/49/44/719804944.db2.gz SRZQDKPBQLXYLP-UHFFFAOYSA-N 0 1 387.940 4.007 20 30 GIEDMN C=CCN1CCN(c2cc(-c3ccc(Cl)nc3)ccc2C2OCCCO2)CC1 ZINC001165032445 721869055 /nfs/dbraw/zinc/86/90/55/721869055.db2.gz SKQQVSSFZOVOPZ-UHFFFAOYSA-N 0 1 399.922 4.146 20 30 GIEDMN N#Cc1c2c(cnc1N1CCC[C@@]3(CCN3Cc3cccc(F)c3)C1)CCCC2 ZINC001164996970 722213460 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COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)ccc1OCC(C)C ZINC000047609254 822596499 /nfs/dbraw/zinc/59/64/99/822596499.db2.gz REKCKXDCCBGXII-IAGOWNOFSA-N 0 1 395.503 4.279 20 30 GIEDMN CN1CCN(c2cccc(Cl)c2CNc2cccc(OCCCC#N)c2)CC1 ZINC000180091024 822613425 /nfs/dbraw/zinc/61/34/25/822613425.db2.gz NMZXNXUGCJQAAG-UHFFFAOYSA-N 0 1 398.938 4.386 20 30 GIEDMN Cc1nc2c(s1)[C@@H](N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1)CCC2 ZINC000180148887 822626923 /nfs/dbraw/zinc/62/69/23/822626923.db2.gz NMLCHGSZNOIBIM-IBGZPJMESA-N 0 1 377.517 4.233 20 30 GIEDMN Cc1csc([C@H](C#N)C(=O)c2ccccc2N(C)C(=O)c2cccs2)n1 ZINC000048787767 822683296 /nfs/dbraw/zinc/68/32/96/822683296.db2.gz MFARVRJEXWJDSE-CQSZACIVSA-N 0 1 381.482 4.280 20 30 GIEDMN Cc1csc(C(C#N)C(=O)c2ccccc2N(C)C(=O)c2cccs2)n1 ZINC000048787767 822683298 /nfs/dbraw/zinc/68/32/98/822683298.db2.gz MFARVRJEXWJDSE-CQSZACIVSA-N 0 1 381.482 4.280 20 30 GIEDMN N#CC(C(=O)c1cnn2c1nccc2-c1ccccc1)c1ccc2ccccc2n1 ZINC000048858414 822686511 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C=CCN(Cc1cccs1)C(=O)Nc1ccccc1N1CCN(CC)CC1 ZINC000043586051 821429506 /nfs/dbraw/zinc/42/95/06/821429506.db2.gz LXJXTMPGBLRWHC-UHFFFAOYSA-N 0 1 384.549 4.110 20 30 GIEDMN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(Br)cc2)c(C#N)c1C ZINC000181130867 821651732 /nfs/dbraw/zinc/65/17/32/821651732.db2.gz RXGMBYDYMFEGCJ-RYUDHWBXSA-N 0 1 390.281 4.208 20 30 GIEDMN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000181903089 822032630 /nfs/dbraw/zinc/03/26/30/822032630.db2.gz MDELQJBXMXGJTC-OAHLLOKOSA-N 0 1 391.393 4.183 20 30 GIEDMN Cc1sc(NC(=O)CN[C@@H](C)c2ccc(Br)cc2)c(C#N)c1C ZINC000182205271 822145944 /nfs/dbraw/zinc/14/59/44/822145944.db2.gz QAGWCKFULKJGGA-NSHDSACASA-N 0 1 392.322 4.288 20 30 GIEDMN O=S(=O)(Nc1ccc(C(F)(F)F)cn1)c1ccc(F)c(C(F)(F)F)c1 ZINC000182747651 822361739 /nfs/dbraw/zinc/36/17/39/822361739.db2.gz ZOUWAOGFHFTOGQ-UHFFFAOYSA-N 0 1 388.264 4.059 20 30 GIEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680108 822402215 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GIEDMN CC(C)c1nnc(-c2ccccc2NC(=O)c2cccc(SCC#N)c2)[nH]1 ZINC000177017978 823350473 /nfs/dbraw/zinc/35/04/73/823350473.db2.gz WJAGKIWFIZCWTO-UHFFFAOYSA-N 0 1 377.473 4.463 20 30 GIEDMN Cc1ccc2nc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)[nH]c2c1 ZINC000022734267 818852493 /nfs/dbraw/zinc/85/24/93/818852493.db2.gz DSTPFFGODCVZIC-LLVKDONJSA-N 0 1 382.514 4.413 20 30 GIEDMN C=CCc1cc(CNCc2ccc(Br)cc2OC)cc(OC)c1O ZINC000189185390 823372169 /nfs/dbraw/zinc/37/21/69/823372169.db2.gz ZPQJAOIYBQPYCJ-UHFFFAOYSA-N 0 1 392.293 4.190 20 30 GIEDMN N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1O ZINC000189224760 823378422 /nfs/dbraw/zinc/37/84/22/823378422.db2.gz BENWSEWSCMSRJD-MRXNPFEDSA-N 0 1 386.835 4.117 20 30 GIEDMN N#Cc1ccc(OC[C@@H](O)CN[C@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000023678923 818973135 /nfs/dbraw/zinc/97/31/35/818973135.db2.gz GSPJSTAQYUKWTF-OFVILXPXSA-N 0 1 398.462 4.423 20 30 GIEDMN C[C@@H](N[C@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000122702976 823397583 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CCOc1ccccc1Oc1ccc(CNCc2cnc3ccc(C#N)cn23)cn1 ZINC000123356876 823500855 /nfs/dbraw/zinc/50/08/55/823500855.db2.gz IUQQSHYZYASWOK-UHFFFAOYSA-N 0 1 399.454 4.082 20 30 GIEDMN N#Cc1ccccc1S(=O)(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000032596833 820975153 /nfs/dbraw/zinc/97/51/53/820975153.db2.gz HDOMVCLKFCXMCN-UHFFFAOYSA-N 0 1 382.416 4.077 20 30 GIEDMN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000177760983 823521968 /nfs/dbraw/zinc/52/19/68/823521968.db2.gz KFDDZUZSHZPSPS-LJQANCHMSA-N 0 1 396.878 4.207 20 30 GIEDMN Cc1ccc(-n2nc(C(=O)C(C#N)c3nc4ccccc4[nH]3)c3c2CCC3)cc1 ZINC000041494394 821198052 /nfs/dbraw/zinc/19/80/52/821198052.db2.gz PZXOKKAHMXDYBV-QGZVFWFLSA-N 0 1 381.439 4.036 20 30 GIEDMN N#CC(C(=O)c1ccc2c(c1)NC(=O)CCS2)c1nc2ccccc2s1 ZINC000041504218 821200817 /nfs/dbraw/zinc/20/08/17/821200817.db2.gz KIVMVEPZYCWHIE-GFCCVEGCSA-N 0 1 379.466 4.221 20 30 GIEDMN CC(=O)NCc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000041513114 821202587 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GIEDMN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2cccc(NC(C)=O)c2)ccc1OC ZINC000180813133 821474425 /nfs/dbraw/zinc/47/44/25/821474425.db2.gz BIPYGBHRBOGVAT-QRWLVFNGSA-N 0 1 381.476 4.185 20 30 GIEDMN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(F)cc2N(C)C)ccc1OC ZINC000180814005 821474456 /nfs/dbraw/zinc/47/44/56/821474456.db2.gz ALTWFPYXBZWCFG-YJBOKZPZSA-N 0 1 385.483 4.432 20 30 GIEDMN N#CC(C(=O)c1cnn(CCC(F)(F)F)c1)c1nc(-c2ccccc2)cs1 ZINC000181498458 821855106 /nfs/dbraw/zinc/85/51/06/821855106.db2.gz PUNQHGVEIPPBSI-CQSZACIVSA-N 0 1 390.390 4.449 20 30 GIEDMN C=C(C)Cn1c([C@H](C)CC)nnc1N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000453451916 822366007 /nfs/dbraw/zinc/36/60/07/822366007.db2.gz KZAWVLYMNQUBHV-OAHLLOKOSA-N 0 1 387.494 4.221 20 30 GIEDMN C=C(C)Cn1c(N(C)C2CCN(CCC(F)(F)F)CC2)nnc1C(C)(C)C ZINC000453455900 822367005 /nfs/dbraw/zinc/36/70/05/822367005.db2.gz UEOLNXOZVVPWDO-UHFFFAOYSA-N 0 1 387.494 4.005 20 30 GIEDMN CN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045182358 822368488 /nfs/dbraw/zinc/36/84/88/822368488.db2.gz RPXGGHJSWLVAKG-UHFFFAOYSA-N 0 1 396.922 4.018 20 30 GIEDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000178687797 822402972 /nfs/dbraw/zinc/40/29/72/822402972.db2.gz ZPGCQEUMFXUXCZ-QWHCGFSZSA-N 0 1 386.839 4.106 20 30 GIEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000179026735 822431166 /nfs/dbraw/zinc/43/11/66/822431166.db2.gz KIGDABZVBQWNIZ-UHFFFAOYSA-N 0 1 385.670 4.083 20 30 GIEDMN C[C@H](NCCSCc1ccccc1C#N)c1ncc(Br)s1 ZINC000179215084 822452443 /nfs/dbraw/zinc/45/24/43/822452443.db2.gz CLZFIUXDEXVNBL-NSHDSACASA-N 0 1 382.352 4.361 20 30 GIEDMN N#CC(C(=O)c1ccnc(O[C@H]2CCOC2)c1)c1nc2cc(Cl)ccc2s1 ZINC000183504735 822487197 /nfs/dbraw/zinc/48/71/97/822487197.db2.gz SXPXFUFOZTZUAG-UONOGXRCSA-N 0 1 399.859 4.002 20 30 GIEDMN N#C[C@H](C(=O)c1ccnc(O[C@H]2CCOC2)c1)c1nc2cc(Cl)ccc2s1 ZINC000183504735 822487198 /nfs/dbraw/zinc/48/71/98/822487198.db2.gz SXPXFUFOZTZUAG-UONOGXRCSA-N 0 1 399.859 4.002 20 30 GIEDMN C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000179592214 822508649 /nfs/dbraw/zinc/50/86/49/822508649.db2.gz HBCBOCHLHDQIIP-JKSUJKDBSA-N 0 1 387.430 4.274 20 30 GIEDMN Cc1sc(NC(=O)CN[C@@H](C)c2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000179612236 822512713 /nfs/dbraw/zinc/51/27/13/822512713.db2.gz PWQZIDSCTZVNQB-NSHDSACASA-N 0 1 379.432 4.127 20 30 GIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(c2cccc(F)c2)CC1 ZINC000179692143 822528495 /nfs/dbraw/zinc/52/84/95/822528495.db2.gz WFLHCLLJFHQHQT-HNNXBMFYSA-N 0 1 383.492 4.295 20 30 GIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CCCO)c1ccccc1 ZINC000179733779 822538057 /nfs/dbraw/zinc/53/80/57/822538057.db2.gz AQESJOOEQATLFJ-MJGOQNOKSA-N 0 1 397.544 4.123 20 30 GIEDMN CN(C(=O)Nc1ccc(C#N)cc1Cl)C1CCN(CCC(F)(F)F)CC1 ZINC000454989201 822566580 /nfs/dbraw/zinc/56/65/80/822566580.db2.gz MNDJYJPHGSHUEM-UHFFFAOYSA-N 0 1 388.821 4.092 20 30 GIEDMN COc1ccc(C(=O)C2CCN(Cc3cccc(OCCCC#N)c3)CC2)cc1 ZINC000179880966 822570709 /nfs/dbraw/zinc/57/07/09/822570709.db2.gz CKIJGKKZTCGITP-UHFFFAOYSA-N 0 1 392.499 4.473 20 30 GIEDMN CC[C@H](NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)C(F)F ZINC000455055742 822581716 /nfs/dbraw/zinc/58/17/16/822581716.db2.gz QMSHYWDUXPXFDY-ZETCQYMHSA-N 0 1 386.271 4.382 20 30 GIEDMN Cn1cc(CNCc2ccccc2OC(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000180038108 822602357 /nfs/dbraw/zinc/60/23/57/822602357.db2.gz ZESIUGBCXDUKFI-UHFFFAOYSA-N 0 1 386.377 4.147 20 30 GIEDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180064154 822607301 /nfs/dbraw/zinc/60/73/01/822607301.db2.gz GTMMZBSXXNPLGU-UHFFFAOYSA-N 0 1 391.540 4.351 20 30 GIEDMN Cn1cc(CNCc2ccccc2Br)c(-c2ccc(C#N)cc2)n1 ZINC000180155253 822628638 /nfs/dbraw/zinc/62/86/38/822628638.db2.gz DUHAFZGRGBLPEO-UHFFFAOYSA-N 0 1 381.277 4.011 20 30 GIEDMN C=CC[C@@H](C)N[C@H](c1nccn1CC)c1ccc(I)cc1 ZINC000180173955 822632438 /nfs/dbraw/zinc/63/24/38/822632438.db2.gz NOZWXUOXGXJAJY-CJNGLKHVSA-N 0 1 395.288 4.151 20 30 GIEDMN Cc1csc(C(C#N)C(=O)[C@H](C)Oc2ccc(C)cc2Br)n1 ZINC000048788472 822683507 /nfs/dbraw/zinc/68/35/07/822683507.db2.gz KIHKQGMOEIRIOO-RYUDHWBXSA-N 0 1 379.279 4.166 20 30 GIEDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455697143 822705280 /nfs/dbraw/zinc/70/52/80/822705280.db2.gz DGZXOFHKNWPLJR-HNNXBMFYSA-N 0 1 397.910 4.148 20 30 GIEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455765620 822722451 /nfs/dbraw/zinc/72/24/51/822722451.db2.gz HHQHQMNCCWCZFJ-UHFFFAOYSA-N 0 1 383.496 4.420 20 30 GIEDMN COc1ccccc1-c1n[nH]c(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)n1 ZINC000052778852 822810538 /nfs/dbraw/zinc/81/05/38/822810538.db2.gz XRLLIJVAEMYPTL-UHFFFAOYSA-N 0 1 390.443 4.220 20 30 GIEDMN N#Cc1ccc(F)c(CNC2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000052833940 822812595 /nfs/dbraw/zinc/81/25/95/822812595.db2.gz UHEHNNSNEPEECX-UHFFFAOYSA-N 0 1 389.268 4.255 20 30 GIEDMN COc1ccc(-c2[nH]ncc2C(=O)Nc2cccc(OCCCC#N)c2)cc1 ZINC000174694918 822824470 /nfs/dbraw/zinc/82/44/70/822824470.db2.gz MDVBRIGMQUHEQT-UHFFFAOYSA-N 0 1 376.416 4.020 20 30 GIEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc2c(s1)-c1ccccc1OC2 ZINC000053524074 822838698 /nfs/dbraw/zinc/83/86/98/822838698.db2.gz HOBIQXHTPCGBJL-UHFFFAOYSA-N 0 1 375.413 4.124 20 30 GIEDMN N#CCc1ccc(OCc2cccc(NC(=O)c3cccc4cn[nH]c43)c2)cc1 ZINC000053997454 822856259 /nfs/dbraw/zinc/85/62/59/822856259.db2.gz MSFKKUXLPMSULI-UHFFFAOYSA-N 0 1 382.423 4.460 20 30 GIEDMN COc1cccc([C@@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)N(C)C)c1 ZINC000457479408 822879512 /nfs/dbraw/zinc/87/95/12/822879512.db2.gz MNWURIMWOUCJHK-FCHUYYIVSA-N 0 1 394.519 4.032 20 30 GIEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2sc([C@@H](C)OC)nc2C)cc1 ZINC000175108275 822883690 /nfs/dbraw/zinc/88/36/90/822883690.db2.gz OZHWTDBPRICWEQ-RHSMWYFYSA-N 0 1 399.516 4.463 20 30 GIEDMN Cc1nc(N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)c(Cl)cc1C#N ZINC000569471059 822927135 /nfs/dbraw/zinc/92/71/35/822927135.db2.gz GGOZQHXHTIEHAZ-UHFFFAOYSA-N 0 1 378.867 4.084 20 30 GIEDMN COc1ccc(Br)cc1C(=O)C(C#N)c1nccc2ccccc21 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GIEDMN Fc1ccc([C@@H]2OCC[C@H]2NCC#Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000192131370 823871750 /nfs/dbraw/zinc/87/17/50/823871750.db2.gz HPYVTAKLZUDQEI-MOPGFXCFSA-N 0 1 381.344 4.455 20 30 GIEDMN C=CCc1cc(CNCc2ccc(OC(F)F)c(F)c2)cc(OC)c1OC ZINC000168258420 823901496 /nfs/dbraw/zinc/90/14/96/823901496.db2.gz WZEZCXLCGKLTCM-UHFFFAOYSA-N 0 1 381.394 4.463 20 30 GIEDMN Cc1ccc(Br)cc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169253660 823910058 /nfs/dbraw/zinc/91/00/58/823910058.db2.gz GRBOLXDVIKVOOP-UHFFFAOYSA-N 0 1 385.670 4.083 20 30 GIEDMN CC(C)(CC#N)CN[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000414161058 823921165 /nfs/dbraw/zinc/92/11/65/823921165.db2.gz FAVNTPUZYDVPHM-IBGZPJMESA-N 0 1 390.936 4.362 20 30 GIEDMN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Nc2ccncc2)cc1 ZINC000576025409 824052329 /nfs/dbraw/zinc/05/23/29/824052329.db2.gz DLDMQUVIPTYKLS-UHFFFAOYSA-N 0 1 390.446 4.294 20 30 GIEDMN Cc1nc(CN2CCCC23CCN(c2ncc(C#N)cc2Cl)CC3)cs1 ZINC001164691186 719804471 /nfs/dbraw/zinc/80/44/71/719804471.db2.gz 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ZINC000121395579 823177023 /nfs/dbraw/zinc/17/70/23/823177023.db2.gz AMXWHXZZHDQNJJ-UHFFFAOYSA-N 0 1 394.906 4.092 20 30 GIEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000459407099 823186157 /nfs/dbraw/zinc/18/61/57/823186157.db2.gz VKUQMUWYHQJHTN-KRWDZBQOSA-N 0 1 394.479 4.012 20 30 GIEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000459407099 823186161 /nfs/dbraw/zinc/18/61/61/823186161.db2.gz VKUQMUWYHQJHTN-KRWDZBQOSA-N 0 1 394.479 4.012 20 30 GIEDMN N#CC(C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1nc2ccccc2[nH]1 ZINC000121524282 823199989 /nfs/dbraw/zinc/19/99/89/823199989.db2.gz DUJXNQBLKRJWBL-AWEZNQCLSA-N 0 1 395.344 4.257 20 30 GIEDMN N#Cc1ccc(CN2CCC3(CC2)OCCc2ccccc23)c(Br)c1 ZINC000459529067 823212503 /nfs/dbraw/zinc/21/25/03/823212503.db2.gz RCLQBOHPAHPCHH-UHFFFAOYSA-N 0 1 397.316 4.385 20 30 GIEDMN COc1ccc(C)cc1[C@H](C)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000459729527 823257665 /nfs/dbraw/zinc/25/76/65/823257665.db2.gz JYRKYCUNHXFTIZ-UONOGXRCSA-N 0 1 383.517 4.103 20 30 GIEDMN N#Cc1ccc(Cc2cnc(NC(=O)c3cn[nH]c3-c3ccccc3)s2)cc1 ZINC000121861797 823265174 /nfs/dbraw/zinc/26/51/74/823265174.db2.gz ONXAEOHTVIFSHO-UHFFFAOYSA-N 0 1 385.452 4.248 20 30 GIEDMN CC(C)[C@](C)(C#N)NC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176679707 823266038 /nfs/dbraw/zinc/26/60/38/823266038.db2.gz WXXFTSYZUYIWCF-MBSDFSHPSA-N 0 1 379.504 4.010 20 30 GIEDMN C[C@H](Oc1cccc(F)c1)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000121891585 823271229 /nfs/dbraw/zinc/27/12/29/823271229.db2.gz PHFXGAJHWWMMTP-UGSOOPFHSA-N 0 1 391.427 4.465 20 30 GIEDMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2c(F)cccc2Cl)cc1OC ZINC000006007234 817639181 /nfs/dbraw/zinc/63/91/81/817639181.db2.gz IIIPSSPSCYKECY-AWQFTUOYSA-N 0 1 392.843 4.300 20 30 GIEDMN C[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000176715745 823275669 /nfs/dbraw/zinc/27/56/69/823275669.db2.gz CGDCDJZXUSAFBA-ABAIWWIYSA-N 0 1 379.407 4.095 20 30 GIEDMN CC(C)Oc1ccc(Br)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188945836 823331866 /nfs/dbraw/zinc/33/18/66/823331866.db2.gz XXGJAIVMDTYFSJ-UHFFFAOYSA-N 0 1 375.222 4.066 20 30 GIEDMN Cc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000016500844 818449819 /nfs/dbraw/zinc/44/98/19/818449819.db2.gz PKVHKPIYDXTCEY-UHFFFAOYSA-N 0 1 382.895 4.260 20 30 GIEDMN N#Cc1ccc(CN2CCCN(C(=S)Nc3ccccc3Cl)CC2)cc1 ZINC000017517639 818517875 /nfs/dbraw/zinc/51/78/75/818517875.db2.gz WYYJQPKLFOASMY-UHFFFAOYSA-N 0 1 384.936 4.116 20 30 GIEDMN N#CCOc1cc(F)ccc1NS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000122364384 823344271 /nfs/dbraw/zinc/34/42/71/823344271.db2.gz GTFRZUUZBWDVNQ-UHFFFAOYSA-N 0 1 382.416 4.196 20 30 GIEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@H](C)c2ccccc2)c1C#N ZINC000019542425 818594479 /nfs/dbraw/zinc/59/44/79/818594479.db2.gz NIHIEJRSQYLEQM-GOSISDBHSA-N 0 1 390.487 4.249 20 30 GIEDMN Cc1ccc2nc([C@H]3CCCN3CC(=O)Nc3ccc(C#N)c(Cl)c3)[nH]c2c1 ZINC000572525457 823354122 /nfs/dbraw/zinc/35/41/22/823354122.db2.gz GRCSGLXENJNJCC-LJQANCHMSA-N 0 1 393.878 4.172 20 30 GIEDMN CCn1c2ccccc2nc1[C@H]1CCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000177045729 823358870 /nfs/dbraw/zinc/35/88/70/823358870.db2.gz LIQKICODVGEVAV-OAQYLSRUSA-N 0 1 387.487 4.094 20 30 GIEDMN COc1ccc2nc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)[nH]c2c1 ZINC000021830060 818741311 /nfs/dbraw/zinc/74/13/11/818741311.db2.gz MIGHXVSYGNNKMJ-CYBMUJFWSA-N 0 1 398.463 4.138 20 30 GIEDMN COc1ccc2nc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)[nH]c2c1 ZINC000021830088 818741728 /nfs/dbraw/zinc/74/17/28/818741728.db2.gz BPCPPDHXJIKDRJ-HNNXBMFYSA-N 0 1 394.500 4.307 20 30 GIEDMN Cc1ccc2nc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)[nH]c2c1 ZINC000022734508 818853314 /nfs/dbraw/zinc/85/33/14/818853314.db2.gz URCUJJNDUPGIQV-CQSZACIVSA-N 0 1 382.464 4.438 20 30 GIEDMN N#Cc1ccc(CN2CCCN(Cc3csc(-c4cccs4)n3)CC2)cc1 ZINC000022850426 818867466 /nfs/dbraw/zinc/86/74/66/818867466.db2.gz IVQZHMWPVDBNPG-UHFFFAOYSA-N 0 1 394.569 4.451 20 30 GIEDMN Cc1ccc(-c2ncc(CN3CCCN(Cc4ccc(C#N)cc4)CC3)s2)o1 ZINC000122839514 823421271 /nfs/dbraw/zinc/42/12/71/823421271.db2.gz PKQHJDQFCXSXBA-UHFFFAOYSA-N 0 1 392.528 4.291 20 30 GIEDMN Cc1[nH]c2c(cccc2C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000024663870 819861186 /nfs/dbraw/zinc/86/11/86/819861186.db2.gz XABNURNQYFABGE-UHFFFAOYSA-N 0 1 386.499 4.005 20 30 GIEDMN C=C(C)COc1cc(CN2CCC(NC(=O)c3ccccc3)CC2)ccc1OC ZINC000123098108 823462147 /nfs/dbraw/zinc/46/21/47/823462147.db2.gz BQNKCCBRWIWHKP-UHFFFAOYSA-N 0 1 394.515 4.045 20 30 GIEDMN Cc1nn(-c2ccccc2)c(CSc2nc(-c3ccccc3F)n[nH]2)c1C#N ZINC000027440195 820244487 /nfs/dbraw/zinc/24/44/87/820244487.db2.gz RKUJDXDOVDVBSI-UHFFFAOYSA-N 0 1 390.447 4.269 20 30 GIEDMN C=CCN1CC[C@@H](N(CC)[C@@H]2CCSc3ccc(Br)cc32)C1=O ZINC000410349548 823470142 /nfs/dbraw/zinc/47/01/42/823470142.db2.gz QFOOSHQTBKEGKO-HZPDHXFCSA-N 0 1 395.366 4.095 20 30 GIEDMN C=CCN1CC[C@@H](N(CC)[C@H]2CCSc3ccc(Br)cc32)C1=O ZINC000410349549 823470154 /nfs/dbraw/zinc/47/01/54/823470154.db2.gz QFOOSHQTBKEGKO-JKSUJKDBSA-N 0 1 395.366 4.095 20 30 GIEDMN C[N@@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccccc1C#N)C1CCCCC1 ZINC000029384634 820448457 /nfs/dbraw/zinc/44/84/57/820448457.db2.gz WFOQICWLQCWWLD-UHFFFAOYSA-N 0 1 383.517 4.124 20 30 GIEDMN COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)ccc1OC(C)C ZINC000030454927 820618618 /nfs/dbraw/zinc/61/86/18/820618618.db2.gz YGLCJOWTQSFGCY-HZPDHXFCSA-N 0 1 381.476 4.032 20 30 GIEDMN CC(=O)CCc1ccc(O[C@@H](C)C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000177773631 823524079 /nfs/dbraw/zinc/52/40/79/823524079.db2.gz JPNGXMGNZRJPDS-MAUKXSAKSA-N 0 1 384.501 4.432 20 30 GIEDMN CC(C)(C)c1ccccc1S(=O)(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000460839640 823526312 /nfs/dbraw/zinc/52/63/12/823526312.db2.gz WWZKHYKUVNGROW-UHFFFAOYSA-N 0 1 380.416 4.258 20 30 GIEDMN CC(C)(C)OC(=O)Nc1cccc(C(O)=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000041496046 821199246 /nfs/dbraw/zinc/19/92/46/821199246.db2.gz ZCCIDXKUNLZGGT-OAHLLOKOSA-N 0 1 376.416 4.400 20 30 GIEDMN CC(=O)N1CCc2cc(C(=O)C(C#N)c3nc(-c4ccccc4)cs3)ccc21 ZINC000041533364 821206138 /nfs/dbraw/zinc/20/61/38/821206138.db2.gz OWDIRPDVYQJIKL-GOSISDBHSA-N 0 1 387.464 4.209 20 30 GIEDMN N#CC(C(=O)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccccc2)cs1 ZINC000041533937 821206238 /nfs/dbraw/zinc/20/62/38/821206238.db2.gz XUVMEHLHIDUVDI-GOSISDBHSA-N 0 1 387.464 4.427 20 30 GIEDMN Cc1ccccc1-n1ccnc1SCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000041542389 821207282 /nfs/dbraw/zinc/20/72/82/821207282.db2.gz MQUFNOAJGGZBLG-OAHLLOKOSA-N 0 1 388.452 4.291 20 30 GIEDMN CCN(CC(=O)Nc1ccc(N2CCCC2)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042740993 821329479 /nfs/dbraw/zinc/32/94/79/821329479.db2.gz QCUMYXPEIXHEIC-IBGZPJMESA-N 0 1 390.531 4.489 20 30 GIEDMN C[C@@H](NCc1ccc(C#N)cc1Br)c1cccc(-n2cccn2)c1 ZINC000181229746 821708082 /nfs/dbraw/zinc/70/80/82/821708082.db2.gz AIOGIVOOIYCKBT-CQSZACIVSA-N 0 1 381.277 4.357 20 30 GIEDMN N#CC(C(=O)CCc1nc(C2CCCC2)no1)c1nc2ccccc2n1C(F)F ZINC000178001133 822277103 /nfs/dbraw/zinc/27/71/03/822277103.db2.gz SVQRAOWSVRWLSX-ZDUSSCGKSA-N 0 1 399.401 4.281 20 30 GIEDMN C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182557863 822301405 /nfs/dbraw/zinc/30/14/05/822301405.db2.gz BZIFYCSBOTXIEI-KRWDZBQOSA-N 0 1 398.466 4.100 20 30 GIEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000182561582 822303380 /nfs/dbraw/zinc/30/33/80/822303380.db2.gz WEZHDMJOFMHIPU-GFCCVEGCSA-N 0 1 394.406 4.465 20 30 GIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000182561582 822303387 /nfs/dbraw/zinc/30/33/87/822303387.db2.gz WEZHDMJOFMHIPU-GFCCVEGCSA-N 0 1 394.406 4.465 20 30 GIEDMN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182563062 822304052 /nfs/dbraw/zinc/30/40/52/822304052.db2.gz CSWBTNCNFQQBAY-KRWDZBQOSA-N 0 1 398.466 4.100 20 30 GIEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680097 822402155 /nfs/dbraw/zinc/40/21/55/822402155.db2.gz FGABRTARFBABTP-CVEARBPZSA-N 0 1 387.505 4.219 20 30 GIEDMN Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3ccc(C#N)cc3Cl)c2)n1 ZINC000183089611 822423411 /nfs/dbraw/zinc/42/34/11/822423411.db2.gz BWBGIBUFIYSRKN-UHFFFAOYSA-N 0 1 387.848 4.284 20 30 GIEDMN N#CC(C(=O)c1cnc([C@@H]2CCCO2)s1)c1nc2ccccc2n1C(F)F ZINC000179356464 822470482 /nfs/dbraw/zinc/47/04/82/822470482.db2.gz NQXSGMVWQRIYGT-MFKMUULPSA-N 0 1 388.399 4.229 20 30 GIEDMN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(OC(F)F)c1 ZINC000179591884 822508654 /nfs/dbraw/zinc/50/86/54/822508654.db2.gz GZXVHQIEGNQRBH-LLVKDONJSA-N 0 1 379.794 4.102 20 30 GIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(c2cccc(F)c2)CC1 ZINC000179692131 822528487 /nfs/dbraw/zinc/52/84/87/822528487.db2.gz WFLHCLLJFHQHQT-OAHLLOKOSA-N 0 1 383.492 4.295 20 30 GIEDMN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccccc1OC(F)F ZINC000179716014 822533651 /nfs/dbraw/zinc/53/36/51/822533651.db2.gz CEQQKFCAJQWMGO-GDBMZVCRSA-N 0 1 379.451 4.060 20 30 GIEDMN C=CCOc1ccc(CN2CCC[C@H](c3nnc4ccccn43)C2)cc1Cl ZINC000179776327 822550649 /nfs/dbraw/zinc/55/06/49/822550649.db2.gz PULOJLHCFCDUQH-KRWDZBQOSA-N 0 1 382.895 4.327 20 30 GIEDMN N#CC(C(=O)CN(Cc1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000179783631 822552304 /nfs/dbraw/zinc/55/23/04/822552304.db2.gz WJUNVKZMUQJNJD-FQEVSTJZSA-N 0 1 380.451 4.446 20 30 GIEDMN Cc1cc([C@H]2CCCN2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)on1 ZINC000047273443 822560714 /nfs/dbraw/zinc/56/07/14/822560714.db2.gz SDESYEDYNDXERL-QGZVFWFLSA-N 0 1 398.532 4.351 20 30 GIEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)nn1-c1cccc(Cl)c1 ZINC000179829702 822561663 /nfs/dbraw/zinc/56/16/63/822561663.db2.gz KWNKZHDSUHZBQG-INIZCTEOSA-N 0 1 389.846 4.211 20 30 GIEDMN C=CCOc1ccc(CN2CCC(C(=O)Nc3cc(C)on3)CC2)cc1Cl ZINC000179855153 822566805 /nfs/dbraw/zinc/56/68/05/822566805.db2.gz SIUGUPZOIYMGSO-UHFFFAOYSA-N 0 1 389.883 4.052 20 30 GIEDMN COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)ccc1OCC(C)C ZINC000047609251 822596574 /nfs/dbraw/zinc/59/65/74/822596574.db2.gz REKCKXDCCBGXII-IRXDYDNUSA-N 0 1 395.503 4.279 20 30 GIEDMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)Nc1cccc(C#N)c1 ZINC000184349407 822620225 /nfs/dbraw/zinc/62/02/25/822620225.db2.gz YPYBTWCZESIWBO-ZDUSSCGKSA-N 0 1 394.475 4.419 20 30 GIEDMN N#Cc1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1Cl ZINC000180175972 822632826 /nfs/dbraw/zinc/63/28/26/822632826.db2.gz HSECKODRAAAMJZ-UHFFFAOYSA-N 0 1 378.734 4.170 20 30 GIEDMN Cc1nc(NS(=O)(=O)c2cccc(Cl)c2C#N)c(Cl)cc1Cl ZINC000180210510 822640031 /nfs/dbraw/zinc/64/00/31/822640031.db2.gz PFDARDMLHKSQKD-UHFFFAOYSA-N 0 1 376.652 4.023 20 30 GIEDMN CC(C)NC(=O)Nc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000048824878 822684746 /nfs/dbraw/zinc/68/47/46/822684746.db2.gz HKURAGLJDXTTSS-HNNXBMFYSA-N 0 1 378.457 4.316 20 30 GIEDMN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000048828735 822685052 /nfs/dbraw/zinc/68/50/52/822685052.db2.gz ZLOVTQDQBDLJNE-INIZCTEOSA-N 0 1 384.361 4.393 20 30 GIEDMN Cc1nn(-c2ccccc2)c(C)c1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000048828735 822685057 /nfs/dbraw/zinc/68/50/57/822685057.db2.gz ZLOVTQDQBDLJNE-INIZCTEOSA-N 0 1 384.361 4.393 20 30 GIEDMN N#CC(C(=O)c1ccc(Br)s1)c1ccc(C(F)(F)F)cn1 ZINC000048828658 822685119 /nfs/dbraw/zinc/68/51/19/822685119.db2.gz HXKLPSCBIPBLDA-MRVPVSSYSA-N 0 1 375.169 4.414 20 30 GIEDMN Cc1sc([C@H](C)NCCC(=O)N(C)CCC#N)nc1-c1ccc(Cl)cc1 ZINC000184951301 822717498 /nfs/dbraw/zinc/71/74/98/822717498.db2.gz HBURVNUVGSJGNP-ZDUSSCGKSA-N 0 1 390.940 4.185 20 30 GIEDMN CC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000185073172 822733076 /nfs/dbraw/zinc/73/30/76/822733076.db2.gz ZTMMCFKETQZONU-HNNXBMFYSA-N 0 1 388.562 4.415 20 30 GIEDMN CN(CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133471 822747731 /nfs/dbraw/zinc/74/77/31/822747731.db2.gz ZTLBUDSODQTAST-XUZZJYLKSA-N 0 1 391.515 4.033 20 30 GIEDMN N#CCc1cccc(NC(=O)N2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000455951853 822756993 /nfs/dbraw/zinc/75/69/93/822756993.db2.gz STFJKVSMFNDEEM-UHFFFAOYSA-N 0 1 384.483 4.256 20 30 GIEDMN COc1cccc(Oc2ccc(CNCc3ccc(OC)c(C#N)c3)cn2)c1 ZINC000174277401 822761744 /nfs/dbraw/zinc/76/17/44/822761744.db2.gz 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CC[C@@H](C#N)Oc1cc(CNCc2ccc(OC(F)F)c(F)c2)ccc1OC ZINC000168317758 823902189 /nfs/dbraw/zinc/90/21/89/823902189.db2.gz DWRKWLXYCIVSRL-HNNXBMFYSA-N 0 1 394.393 4.406 20 30 GIEDMN C/C(=C\c1nc2c(s1)CN(C(C)C)CC2)c1nc2ccccc2n1CC#N ZINC000414084294 823905043 /nfs/dbraw/zinc/90/50/43/823905043.db2.gz WUSWOHCAPUPNNJ-NTCAYCPXSA-N 0 1 377.517 4.343 20 30 GIEDMN Cc1ccc(-c2ccc(CN[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)o2)cc1 ZINC000192242987 823914456 /nfs/dbraw/zinc/91/44/56/823914456.db2.gz WXGQXPLNWMDOPP-JOCHJYFZSA-N 0 1 385.467 4.017 20 30 GIEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000170709331 823949874 /nfs/dbraw/zinc/94/98/74/823949874.db2.gz GPSMBPKFVPDRCX-HNNXBMFYSA-N 0 1 390.443 4.250 20 30 GIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000170709331 823949882 /nfs/dbraw/zinc/94/98/82/823949882.db2.gz GPSMBPKFVPDRCX-HNNXBMFYSA-N 0 1 390.443 4.250 20 30 GIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1CCCc2c(O)cccc21 ZINC000192366342 823959895 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Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1NC(=O)Nc1ccccc1 ZINC000176393597 823197417 /nfs/dbraw/zinc/19/74/17/823197417.db2.gz KSBVFXIWVMJKGU-UHFFFAOYSA-N 0 1 386.411 4.469 20 30 GIEDMN C=CCC[C@H](NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1ccco1 ZINC000571545130 823198433 /nfs/dbraw/zinc/19/84/33/823198433.db2.gz SOACQCPAAGAQLV-IBGZPJMESA-N 0 1 376.522 4.106 20 30 GIEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459478819 823200678 /nfs/dbraw/zinc/20/06/78/823200678.db2.gz KXFDHKHXLQMYRN-GOSISDBHSA-N 0 1 381.823 4.333 20 30 GIEDMN COc1ccc([C@@H](C)NCC(=O)N(CCC#N)c2cccc(Cl)c2)cc1F ZINC000121564430 823206663 /nfs/dbraw/zinc/20/66/63/823206663.db2.gz JNIFDMPILQPXQS-CQSZACIVSA-N 0 1 389.858 4.085 20 30 GIEDMN N#CCCn1cc(CN2CC(Cc3ccccc3Cl)C2)c(-c2ccncc2)n1 ZINC000459561896 823220959 /nfs/dbraw/zinc/22/09/59/823220959.db2.gz NUASEULAIUKRBS-UHFFFAOYSA-N 0 1 391.906 4.187 20 30 GIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000571891185 823250383 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GIEDMN Cc1ccc(-n2nc(C(=O)C(C#N)c3nc4ccccc4n3C)c3c2CCC3)cc1 ZINC000122118507 823308909 /nfs/dbraw/zinc/30/89/09/823308909.db2.gz PLSFLUGLYANVHH-GOSISDBHSA-N 0 1 395.466 4.046 20 30 GIEDMN COc1cc([C@@H](C)NCc2ccc(C#N)s2)ccc1OCc1ccncc1 ZINC000176950812 823332598 /nfs/dbraw/zinc/33/25/98/823332598.db2.gz IASNSFRDYWPNFV-OAHLLOKOSA-N 0 1 379.485 4.453 20 30 GIEDMN Cc1csc([C@H](C#N)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)n1 ZINC000122320382 823337556 /nfs/dbraw/zinc/33/75/56/823337556.db2.gz BTDYVGTWSNALAT-RTBURBONSA-N 0 1 388.448 4.396 20 30 GIEDMN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)n1 ZINC000122320382 823337562 /nfs/dbraw/zinc/33/75/62/823337562.db2.gz BTDYVGTWSNALAT-RTBURBONSA-N 0 1 388.448 4.396 20 30 GIEDMN COc1cccc(-c2nc(C)c(C(=O)Nc3cc(C#N)ccc3OC(C)C)[nH]2)c1 ZINC000122305296 823335584 /nfs/dbraw/zinc/33/55/84/823335584.db2.gz FLHUSPSTZBKZJT-UHFFFAOYSA-N 0 1 390.443 4.305 20 30 GIEDMN Cc1ccc(-c2cc(C(=O)Nc3ncccc3OCCCC#N)[nH]n2)c(C)c1 ZINC000189007762 823341461 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COc1ccccc1-c1n[nH]c(NC(=O)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000052779153 822810572 /nfs/dbraw/zinc/81/05/72/822810572.db2.gz XOYDUOHTVVRXNM-UHFFFAOYSA-N 0 1 392.337 4.210 20 30 GIEDMN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053525220 822838945 /nfs/dbraw/zinc/83/89/45/822838945.db2.gz XWPREUVDOAQSKF-UHFFFAOYSA-N 0 1 380.408 4.074 20 30 GIEDMN CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(Br)ccc1[O-] ZINC000186266103 822866976 /nfs/dbraw/zinc/86/69/76/822866976.db2.gz WBTZAXOOYRNXIX-QGZVFWFLSA-N 0 1 375.266 4.298 20 30 GIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cnn4c3C[C@H](C)CC4)n2)cc1 ZINC000568999837 822868660 /nfs/dbraw/zinc/86/86/60/822868660.db2.gz VCENZSIRLDQLGF-CJNGLKHVSA-N 0 1 392.484 4.088 20 30 GIEDMN C[C@@H](NCC(=O)Nc1sccc1C#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000569144057 822883725 /nfs/dbraw/zinc/88/37/25/822883725.db2.gz OBDCRZNFMFGYHA-OAHLLOKOSA-N 0 1 386.480 4.448 20 30 GIEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000054537607 822893896 /nfs/dbraw/zinc/89/38/96/822893896.db2.gz XHJWTEDRFLGVOC-UHFFFAOYSA-N 0 1 392.503 4.085 20 30 GIEDMN N#Cc1cccnc1Oc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000055591897 822983267 /nfs/dbraw/zinc/98/32/67/822983267.db2.gz RGEDHXKJRFHDPN-UHFFFAOYSA-N 0 1 391.452 4.035 20 30 GIEDMN Cc1nc(S[C@H]2CCN(c3sccc3C#N)C2=O)[nH]c1-c1ccccc1 ZINC000187147334 823017563 /nfs/dbraw/zinc/01/75/63/823017563.db2.gz ZCWPXYNLKUYLII-HNNXBMFYSA-N 0 1 380.498 4.216 20 30 GIEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc(SCC#N)c3)[nH]c2c1 ZINC000175703139 823023579 /nfs/dbraw/zinc/02/35/79/823023579.db2.gz RJFMNYPSISBCMK-LJQANCHMSA-N 0 1 376.485 4.464 20 30 GIEDMN COc1cccc(C(=O)c2ccc(C(=O)C(C#N)c3nc4ccccc4[nH]3)cc2)c1 ZINC000187235370 823028793 /nfs/dbraw/zinc/02/87/93/823028793.db2.gz SSMDEVVGBINWIC-IBGZPJMESA-N 0 1 395.418 4.293 20 30 GIEDMN CCCN(CC(=O)N(C)Cc1ccc(SC)cc1)Cc1ccc(C#N)cc1 ZINC000061001762 823572045 /nfs/dbraw/zinc/57/20/45/823572045.db2.gz GMHRNINFRYINHN-UHFFFAOYSA-N 0 1 381.545 4.151 20 30 GIEDMN COc1ccc2oc([C@H](C)N[C@H]3CCN(c4sccc4C#N)C3=O)c(C)c2c1 ZINC000411517597 823583693 /nfs/dbraw/zinc/58/36/93/823583693.db2.gz GHTWGAUWJGMVNR-GUYCJALGSA-N 0 1 395.484 4.139 20 30 GIEDMN Cc1cc2c(cc1C)[C@@H](N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCS2 ZINC000190612654 823591479 /nfs/dbraw/zinc/59/14/79/823591479.db2.gz ROBDVKUJIBBXKU-SFTDATJTSA-N 0 1 391.540 4.103 20 30 GIEDMN CC[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1F ZINC000190628606 823593366 /nfs/dbraw/zinc/59/33/66/823593366.db2.gz QMJFMWMDIZKZHI-RBUKOAKNSA-N 0 1 385.870 4.193 20 30 GIEDMN C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000124447351 823597503 /nfs/dbraw/zinc/59/75/03/823597503.db2.gz BTJHNAWJLKWKQL-UHFFFAOYSA-N 0 1 395.850 4.290 20 30 GIEDMN CC(C)COc1ncc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1Cl ZINC000190898087 823621530 /nfs/dbraw/zinc/62/15/30/823621530.db2.gz HWSTUZJKBAODIZ-CQSZACIVSA-N 0 1 380.835 4.203 20 30 GIEDMN CC(C)n1cc(Br)cc1C(O)=C(C#N)c1cnc2ccccc2n1 ZINC000190975438 823633142 /nfs/dbraw/zinc/63/31/42/823633142.db2.gz HDJLQHLXUXFJRG-CYBMUJFWSA-N 0 1 383.249 4.265 20 30 GIEDMN N#Cc1ccc([C@@H](O)CN(Cc2csc(Br)c2)C2CC2)cc1 ZINC000125204949 823659088 /nfs/dbraw/zinc/65/90/88/823659088.db2.gz MQRJEPMOVYAKIB-INIZCTEOSA-N 0 1 377.307 4.080 20 30 GIEDMN C=CCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288201 823660203 /nfs/dbraw/zinc/66/02/03/823660203.db2.gz STPTYCRLFARGJY-UHFFFAOYSA-N 0 1 398.850 4.137 20 30 GIEDMN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000191470831 823688634 /nfs/dbraw/zinc/68/86/34/823688634.db2.gz MQGYHOOGLPMAKC-GOSISDBHSA-N 0 1 385.552 4.256 20 30 GIEDMN C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cccc(C#N)c1 ZINC000461906415 823748133 /nfs/dbraw/zinc/74/81/33/823748133.db2.gz GZJWXRAREWQWKY-IERDGZPVSA-N 0 1 381.907 4.268 20 30 GIEDMN Cc1nc(N2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c(Cl)cc1C#N ZINC000461955128 823770566 /nfs/dbraw/zinc/77/05/66/823770566.db2.gz HKWTZCRZPSMYHK-HNNXBMFYSA-N 0 1 384.915 4.465 20 30 GIEDMN Cc1nc(N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c(Cl)cc1C#N ZINC000461955128 823770572 /nfs/dbraw/zinc/77/05/72/823770572.db2.gz HKWTZCRZPSMYHK-HNNXBMFYSA-N 0 1 384.915 4.465 20 30 GIEDMN N#Cc1cc(F)c(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c(F)c1 ZINC000191842064 823793470 /nfs/dbraw/zinc/79/34/70/823793470.db2.gz BBGHMTNHCMRWJO-UHFFFAOYSA-N 0 1 382.351 4.353 20 30 GIEDMN C[C@@H](C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1cccc(C#N)c1 ZINC000462013994 823794767 /nfs/dbraw/zinc/79/47/67/823794767.db2.gz HIWIXEDADHOEPY-LLVKDONJSA-N 0 1 385.349 4.104 20 30 GIEDMN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(Br)c1 ZINC000192138362 823875587 /nfs/dbraw/zinc/87/55/87/823875587.db2.gz YMRMKEDCQBGNOA-QZTJIDSGSA-N 0 1 393.231 4.219 20 30 GIEDMN CC[C@H](C#N)Oc1cc(CNCc2ccc(OC(F)F)c(F)c2)ccc1OC ZINC000168317858 823902196 /nfs/dbraw/zinc/90/21/96/823902196.db2.gz DWRKWLXYCIVSRL-OAHLLOKOSA-N 0 1 394.393 4.406 20 30 GIEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000126655931 823920259 /nfs/dbraw/zinc/92/02/59/823920259.db2.gz XGEVSBPKWVTSSL-SJORKVTESA-N 0 1 383.467 4.129 20 30 GIEDMN CC(C)CCc1nc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cs1 ZINC000065040201 823928693 /nfs/dbraw/zinc/92/86/93/823928693.db2.gz SREHHONWQYNTCS-UHFFFAOYSA-N 0 1 382.577 4.311 20 30 GIEDMN Cc1cc(N2CC[C@H](N[C@@H](C)c3cccc(C#N)c3)C2=O)ccc1Br ZINC000462335318 823928969 /nfs/dbraw/zinc/92/89/69/823928969.db2.gz BINPCWRCGJTVFQ-LIRRHRJNSA-N 0 1 398.304 4.085 20 30 GIEDMN CC1(C)CCN(CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000575879038 824018533 /nfs/dbraw/zinc/01/85/33/824018533.db2.gz HJFMMOFXRAOHBF-UHFFFAOYSA-N 0 1 377.488 4.002 20 30 GIEDMN