smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1csc(C(C#N)C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)n1 ZINC000121506159 823196599 /nfs/dbraw/zinc/19/65/99/823196599.db2.gz GOQKODTUQKKLMP-ZDUSSCGKSA-N 0 2 376.363 4.146 20 30 GIEDLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)cc1F ZINC000121633881 823220004 /nfs/dbraw/zinc/22/00/04/823220004.db2.gz QNLZFZOMFHWSGX-LLVKDONJSA-N 0 2 382.457 4.326 20 30 GIEDLN Cc1nc(NS(=O)(=O)c2ccc(C#N)cc2)sc1Cc1ccc(C)cc1 ZINC000409532012 823243279 /nfs/dbraw/zinc/24/32/79/823243279.db2.gz BNTADRLTKSLNCB-UHFFFAOYSA-N 0 2 383.498 4.023 20 30 GIEDLN N#Cc1cccc(S(=O)(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1 ZINC000409576091 823252937 /nfs/dbraw/zinc/25/29/37/823252937.db2.gz UJAHENCIQBPDGV-MRXNPFEDSA-N 0 2 395.509 4.088 20 30 GIEDLN COC(=O)Cc1cccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000188706544 823289760 /nfs/dbraw/zinc/28/97/60/823289760.db2.gz GIUAQJNOBVADEQ-AWEZNQCLSA-N 0 2 384.844 4.155 20 30 GIEDLN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(F)c3C#N)n2)cc1 ZINC000188760940 823299270 /nfs/dbraw/zinc/29/92/70/823299270.db2.gz QTAHCRSZUHWFBT-INIZCTEOSA-N 0 2 377.400 4.320 20 30 GIEDLN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000122102784 823306859 /nfs/dbraw/zinc/30/68/59/823306859.db2.gz HRKYWAGBCFAUKP-ZDUSSCGKSA-N 0 2 375.819 4.107 20 30 GIEDLN COc1ccc(-c2nc(C(=O)C(C#N)c3nc4ccccc4n3C)cs2)cc1 ZINC000122199739 823320592 /nfs/dbraw/zinc/32/05/92/823320592.db2.gz CXIYRFKCXRRFBF-HNNXBMFYSA-N 0 2 388.452 4.195 20 30 GIEDLN O=C(CC1S/C(=N\C2CCCCC2)NC1=O)Nc1cccc2ccccc21 ZINC000021133009 818657012 /nfs/dbraw/zinc/65/70/12/818657012.db2.gz ZNNZIUJKWAOZIY-SFHVURJKSA-N 0 2 381.501 4.089 20 30 GIEDLN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccn(CCc3ccccc3)n2)s1 ZINC000453779479 822410474 /nfs/dbraw/zinc/41/04/74/822410474.db2.gz MRTSWIDPAVSAJT-MRXNPFEDSA-N 0 2 378.501 4.370 20 30 GIEDLN Cc1csc(C(C#N)C(=O)CSc2nncn2-c2ccc(C(C)C)cc2)n1 ZINC000047358198 822570597 /nfs/dbraw/zinc/57/05/97/822570597.db2.gz SPHAFBZIQFGHDU-INIZCTEOSA-N 0 2 397.529 4.124 20 30 GIEDLN CC(=O)c1cc(C(=O)C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)n(C)c1 ZINC000051656662 822771976 /nfs/dbraw/zinc/77/19/76/822771976.db2.gz UUIBLIOWHQSQPK-LBPRGKRZSA-N 0 2 391.374 4.346 20 30 GIEDLN N#CC(C(=O)c1csc(Cc2ccccc2F)n1)c1cnc2ccccc2n1 ZINC000190916326 823623988 /nfs/dbraw/zinc/62/39/88/823623988.db2.gz YDZDIIIZDBVSGE-AWEZNQCLSA-N 0 2 388.427 4.306 20 30 GIEDLN CC(C)(C)c1noc(-c2ccccc2C(=O)C(C#N)c2cnc3ccccc3n2)n1 ZINC000190944770 823628379 /nfs/dbraw/zinc/62/83/79/823628379.db2.gz VKHVZHXUPUXGKM-MRXNPFEDSA-N 0 2 397.438 4.467 20 30 GIEDLN CC(C)(C)c1[nH]n(Cc2cc(C#N)ccc2Br)c(=O)c1CCC#N ZINC000191687849 823734578 /nfs/dbraw/zinc/73/45/78/823734578.db2.gz FLXNKVVEQNEKPZ-UHFFFAOYSA-N 0 2 387.281 4.025 20 30 GIEDLN N#CC(C(=O)c1cc(C(N)=O)cs1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000121399258 823177510 /nfs/dbraw/zinc/17/75/10/823177510.db2.gz JWGFPWVALSBLSO-GFCCVEGCSA-N 0 2 387.873 4.114 20 30 GIEDLN Cc1csc([C@H](C#N)C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1 ZINC000176516871 823226909 /nfs/dbraw/zinc/22/69/09/823226909.db2.gz OJRBWORJPUGAKL-WTXIUTQJSA-N 0 2 389.521 4.196 20 30 GIEDLN COCCOc1ccc(Cl)cc1C(=O)[C@H](C#N)c1nc(C(C)C)cs1 ZINC000176615734 823249873 /nfs/dbraw/zinc/24/98/73/823249873.db2.gz DEOVBSHNQDUCCY-AWEZNQCLSA-N 0 2 378.881 4.435 20 30 GIEDLN COc1c(Cl)cccc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000057123395 823251229 /nfs/dbraw/zinc/25/12/29/823251229.db2.gz NYMRKSCRZWLMQU-UHFFFAOYSA-N 0 2 390.770 4.040 20 30 GIEDLN N#CC(C(=O)Cc1csc(-c2ccoc2)n1)c1nc(-c2ccncc2)cs1 ZINC000122025359 823295203 /nfs/dbraw/zinc/29/52/03/823295203.db2.gz YHKBHDHIKHTNQD-HNNXBMFYSA-N 0 2 392.465 4.341 20 30 GIEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@H](c3ccccc3)C(C)C)cc2[nH]c1=S ZINC000123623054 823526940 /nfs/dbraw/zinc/52/69/40/823526940.db2.gz HMLQULNDIVNEAF-IBGZPJMESA-N 0 2 393.512 4.372 20 30 GIEDLN Cc1csc([C@@H](C#N)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)n1 ZINC000041516366 821203859 /nfs/dbraw/zinc/20/38/59/821203859.db2.gz PKSQSXDJQUAUFX-AWEZNQCLSA-N 0 2 390.390 4.455 20 30 GIEDLN N#C[C@@H](C(=O)CCNc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000041522561 821204922 /nfs/dbraw/zinc/20/49/22/821204922.db2.gz UJWMYIHSASLLIO-HNNXBMFYSA-N 0 2 392.440 4.397 20 30 GIEDLN N#CC(C(=O)COc1ccc2c(c1)CCC2)c1nc2ccccc2n1C(F)F ZINC000041559695 821211386 /nfs/dbraw/zinc/21/13/86/821211386.db2.gz SUPRIRPGRCUIII-MRXNPFEDSA-N 0 2 381.382 4.175 20 30 GIEDLN Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000181754731 821977888 /nfs/dbraw/zinc/97/78/88/821977888.db2.gz ORJQQXDRNGAKMB-UHFFFAOYSA-N 0 2 389.889 4.444 20 30 GIEDLN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cnoc1-c1ccccc1 ZINC000182482785 822260397 /nfs/dbraw/zinc/26/03/97/822260397.db2.gz OMEAEXURLMTCGQ-UHFFFAOYSA-N 0 2 393.346 4.033 20 30 GIEDLN C=CCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccc(C)cc3)cc2[nH]c1=S ZINC000045247392 822373127 /nfs/dbraw/zinc/37/31/27/822373127.db2.gz MSKAXCVTQPEPHZ-HNNXBMFYSA-N 0 2 393.512 4.013 20 30 GIEDLN Cn1cnc(-c2ccc(C(=O)C(C#N)c3nc4cc(Cl)ccc4s3)cc2)n1 ZINC000182860757 822380956 /nfs/dbraw/zinc/38/09/56/822380956.db2.gz KZTQMRBWJOPOIM-CQSZACIVSA-N 0 2 393.859 4.235 20 30 GIEDLN Cn1c(C#N)ccc1C(O)=C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000453621761 822394580 /nfs/dbraw/zinc/39/45/80/822394580.db2.gz YBVSPOISLAYCEI-LEJIWSMMSA-N 0 2 390.512 4.311 20 30 GIEDLN Cn1c(C#N)ccc1C(=O)C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000453621761 822394583 /nfs/dbraw/zinc/39/45/83/822394583.db2.gz YBVSPOISLAYCEI-LEJIWSMMSA-N 0 2 390.512 4.311 20 30 GIEDLN CC(C)(C)c1[nH]n(Cc2ccc(C#N)cc2Br)c(=O)c1CCC#N ZINC000183189978 822438435 /nfs/dbraw/zinc/43/84/35/822438435.db2.gz LIUWVOGUCBTZQW-UHFFFAOYSA-N 0 2 387.281 4.025 20 30 GIEDLN C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185243486 822753863 /nfs/dbraw/zinc/75/38/63/822753863.db2.gz AWDBRECBLOZMRV-LBPRGKRZSA-N 0 2 389.477 4.360 20 30 GIEDLN N#CC(C(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1nc2ccccc2o1 ZINC000054736602 822909418 /nfs/dbraw/zinc/90/94/18/822909418.db2.gz VGTBIRDJMRSKAL-OAHLLOKOSA-N 0 2 390.374 4.216 20 30 GIEDLN CC(=O)Nc1cc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cc(C(F)(F)F)c1 ZINC000190914368 823623669 /nfs/dbraw/zinc/62/36/69/823623669.db2.gz IPRBIUWGYUQMJC-HNNXBMFYSA-N 0 2 398.344 4.097 20 30 GIEDLN N#C[C@@H](C(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1cnc2ccccc2n1 ZINC000190957581 823630341 /nfs/dbraw/zinc/63/03/41/823630341.db2.gz MIVAKMCJFFIMMO-SNVBAGLBSA-N 0 2 379.832 4.225 20 30 GIEDLN N#C[C@H](C(=O)c1c[nH]nc1-c1cc2ccccc2o1)c1cnc2ccccc2n1 ZINC000190957625 823630455 /nfs/dbraw/zinc/63/04/55/823630455.db2.gz QUNDQAYCCKMFOH-AWEZNQCLSA-N 0 2 379.379 4.256 20 30 GIEDLN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000191570013 823701889 /nfs/dbraw/zinc/70/18/89/823701889.db2.gz ZABVKYXEWZLTFS-UHFFFAOYSA-N 0 2 377.462 4.027 20 30 GIEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000064479055 823827464 /nfs/dbraw/zinc/82/74/64/823827464.db2.gz OJZLYDQTFWCMJA-UHFFFAOYSA-N 0 2 390.770 4.040 20 30 GIEDLN N#CC(C(=O)CCOC1CCOCC1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000175946081 823079155 /nfs/dbraw/zinc/07/91/55/823079155.db2.gz DAANEHQLZIVKOO-INIZCTEOSA-N 0 2 390.892 4.225 20 30 GIEDLN N#C[C@@H](C(=O)CCOC1CCOCC1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000175946081 823079161 /nfs/dbraw/zinc/07/91/61/823079161.db2.gz DAANEHQLZIVKOO-INIZCTEOSA-N 0 2 390.892 4.225 20 30 GIEDLN Cc1nc([C@@H]2CCCOC2)sc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000571381034 823175233 /nfs/dbraw/zinc/17/52/33/823175233.db2.gz LLWVPOLGGVAWMR-NVXWUHKLSA-N 0 2 377.469 4.384 20 30 GIEDLN CC[C@H](C)/N=C1\NC(=O)C(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1 ZINC000021131927 818657000 /nfs/dbraw/zinc/65/70/00/818657000.db2.gz LBYIQEXJCFJLSU-KSSFIOAISA-N 0 2 397.500 4.194 20 30 GIEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)[C@@H](C)c3ccccc3)cc2[nH]c1=S ZINC000177185871 823394359 /nfs/dbraw/zinc/39/43/59/823394359.db2.gz MEOPBDFIAMEWAJ-CABCVRRESA-N 0 2 393.512 4.167 20 30 GIEDLN C=C(C)Cn1c([C@H](C)Oc2ccc3ccccc3c2)n[n-]c1=[NH+]c1cnn(C)c1 ZINC000460569036 823437378 /nfs/dbraw/zinc/43/73/78/823437378.db2.gz ABLDVLBRYJMJSV-INIZCTEOSA-N 0 2 388.475 4.046 20 30 GIEDLN CC(C)(C)c1cnc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000410342232 823468057 /nfs/dbraw/zinc/46/80/57/823468057.db2.gz FJFQIDSRMFSQCC-UHFFFAOYSA-N 0 2 389.424 4.132 20 30 GIEDLN C=CCn1c(=O)c2ccc(C(=O)N(C)[C@H]3CCc4ccccc43)cc2[nH]c1=S ZINC000030978446 820714362 /nfs/dbraw/zinc/71/43/62/820714362.db2.gz NYQVEHHKHQYXAQ-IBGZPJMESA-N 0 2 391.496 4.005 20 30 GIEDLN Cc1nc(COc2ccccc2C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)no1 ZINC000177744446 823519628 /nfs/dbraw/zinc/51/96/28/823519628.db2.gz GSBIXFCRTCIGMU-CQSZACIVSA-N 0 2 382.445 4.027 20 30 GIEDLN CC(C)c1csc([C@H](C#N)C(=O)CCSc2ccc3c(c2)OCCO3)n1 ZINC000177746583 823519801 /nfs/dbraw/zinc/51/98/01/823519801.db2.gz WXVUGOPIWDBIKJ-CQSZACIVSA-N 0 2 388.514 4.396 20 30 GIEDLN CC(C)c1csc(C(C#N)C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 ZINC000177773244 823523992 /nfs/dbraw/zinc/52/39/92/823523992.db2.gz SMPHXPFCIHWUPS-DOMZBBRYSA-N 0 2 387.892 4.149 20 30 GIEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 ZINC000177773244 823523996 /nfs/dbraw/zinc/52/39/96/823523996.db2.gz SMPHXPFCIHWUPS-DOMZBBRYSA-N 0 2 387.892 4.149 20 30 GIEDLN CC(C)c1csc(C(C#N)C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 ZINC000177773255 823524030 /nfs/dbraw/zinc/52/40/30/823524030.db2.gz SMPHXPFCIHWUPS-IUODEOHRSA-N 0 2 387.892 4.149 20 30 GIEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 ZINC000177773255 823524032 /nfs/dbraw/zinc/52/40/32/823524032.db2.gz SMPHXPFCIHWUPS-IUODEOHRSA-N 0 2 387.892 4.149 20 30 GIEDLN CC(C)c1csc([C@H](C#N)C(=O)CCC(=O)N(CCC#N)c2ccccc2)n1 ZINC000177769383 823523479 /nfs/dbraw/zinc/52/34/79/823523479.db2.gz ODKXABFHUJZSPD-QGZVFWFLSA-N 0 2 394.500 4.170 20 30 GIEDLN Cc1ccccc1-n1nc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)c2c1CCC2 ZINC000123645585 823528836 /nfs/dbraw/zinc/52/88/36/823528836.db2.gz CIJNDVASHNCFDX-KRWDZBQOSA-N 0 2 395.466 4.046 20 30 GIEDLN Cc1ccc(-n2nc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)c3c2CCC3)cc1 ZINC000041494395 821198076 /nfs/dbraw/zinc/19/80/76/821198076.db2.gz PZXOKKAHMXDYBV-KRWDZBQOSA-N 0 2 381.439 4.036 20 30 GIEDLN N#C[C@H](C(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nnc2n1CCCCC2 ZINC000041508039 821201102 /nfs/dbraw/zinc/20/11/02/821201102.db2.gz HKXVRGWUKKJIFY-CQSZACIVSA-N 0 2 397.891 4.271 20 30 GIEDLN Cc1csc([C@H](C#N)C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)n1 ZINC000041517496 821203754 /nfs/dbraw/zinc/20/37/54/821203754.db2.gz BIWNLZFPHYQLGI-QGZVFWFLSA-N 0 2 389.484 4.073 20 30 GIEDLN Cc1csc(C(C#N)C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)n1 ZINC000041520782 821204465 /nfs/dbraw/zinc/20/44/65/821204465.db2.gz QIOJIALILYIENS-CYBMUJFWSA-N 0 2 382.466 4.441 20 30 GIEDLN Cc1csc([C@H](C#N)C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)n1 ZINC000041520782 821204472 /nfs/dbraw/zinc/20/44/72/821204472.db2.gz QIOJIALILYIENS-CYBMUJFWSA-N 0 2 382.466 4.441 20 30 GIEDLN N#C[C@H](C(=O)CCCNC(=O)c1ccsc1)c1nc(-c2ccccc2)cs1 ZINC000041534336 821205948 /nfs/dbraw/zinc/20/59/48/821205948.db2.gz HBIXOINCYFQPTH-MRXNPFEDSA-N 0 2 395.509 4.258 20 30 GIEDLN N#C[C@@H](C(=O)c1ccccc1COC1CCOCC1)c1nc2ccccc2o1 ZINC000177947153 822253257 /nfs/dbraw/zinc/25/32/57/822253257.db2.gz CSBQVXDTDPWGAR-SFHVURJKSA-N 0 2 376.412 4.013 20 30 GIEDLN N#C[C@@H](C(=O)c1cnc(-c2ccccn2)s1)c1nc2ccccc2n1C(F)F ZINC000178987803 822426718 /nfs/dbraw/zinc/42/67/18/822426718.db2.gz AEADASAMUFASJS-NSHDSACASA-N 0 2 395.394 4.440 20 30 GIEDLN N#C[C@H](C(=O)[C@@H]1CCCN1Cc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000179700604 822530316 /nfs/dbraw/zinc/53/03/16/822530316.db2.gz WMBGGRGUONZXEH-APWZRJJASA-N 0 2 394.425 4.272 20 30 GIEDLN Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)nn1-c1cc(C)cc(C)c1 ZINC000179830024 822561536 /nfs/dbraw/zinc/56/15/36/822561536.db2.gz QOVSCMNQNSKMMT-SFHVURJKSA-N 0 2 383.455 4.174 20 30 GIEDLN CC(C)NC(=O)Nc1ccccc1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000048823347 822684377 /nfs/dbraw/zinc/68/43/77/822684377.db2.gz HSBFWXHJXSVUOU-CQSZACIVSA-N 0 2 378.457 4.316 20 30 GIEDLN CC(C)NC(=O)Nc1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000048823347 822684378 /nfs/dbraw/zinc/68/43/78/822684378.db2.gz HSBFWXHJXSVUOU-CQSZACIVSA-N 0 2 378.457 4.316 20 30 GIEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1nc2c(ccc3ccccc23)s1 ZINC000184775539 822689223 /nfs/dbraw/zinc/68/92/23/822689223.db2.gz KCADDPGMVHMVGZ-UHFFFAOYSA-N 0 2 395.465 4.131 20 30 GIEDLN C=CCn1c(=O)c2ccc(C(=O)N3C[C@H](C)[C@@H]3c3ccccc3)cc2[nH]c1=S ZINC000175152160 822893035 /nfs/dbraw/zinc/89/30/35/822893035.db2.gz DADLGRJWROCVGN-IFXJQAMLSA-N 0 2 391.496 4.078 20 30 GIEDLN CC(C)c1csc(C(C#N)C(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000175211100 822905168 /nfs/dbraw/zinc/90/51/68/822905168.db2.gz ISOWJIMAKWYUJP-DJJJIMSYSA-N 0 2 377.510 4.090 20 30 GIEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000175211100 822905171 /nfs/dbraw/zinc/90/51/71/822905171.db2.gz ISOWJIMAKWYUJP-DJJJIMSYSA-N 0 2 377.510 4.090 20 30 GIEDLN N#C[C@@H](C(=O)c1c[nH]nc1-c1cc2ccccc2o1)c1cnc2ccccc2n1 ZINC000190957643 823630399 /nfs/dbraw/zinc/63/03/99/823630399.db2.gz QUNDQAYCCKMFOH-CQSZACIVSA-N 0 2 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/nfs/dbraw/zinc/39/11/23/823391123.db2.gz KBUITOKSXJNLNO-LJQANCHMSA-N 0 2 381.435 4.409 20 30 GIEDLN N#C[C@H](C(=O)COc1ccccc1Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000122669638 823391127 /nfs/dbraw/zinc/39/11/27/823391127.db2.gz KBUITOKSXJNLNO-LJQANCHMSA-N 0 2 381.435 4.409 20 30 GIEDLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[nH]n1 ZINC000410325769 823463678 /nfs/dbraw/zinc/46/36/78/823463678.db2.gz LORDWINMZVAGHT-SNVBAGLBSA-N 0 2 386.399 4.005 20 30 GIEDLN CC(C)c1csc(C(C#N)C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000177748466 823520219 /nfs/dbraw/zinc/52/02/19/823520219.db2.gz MOVWZRJHYDDZSX-RDJZCZTQSA-N 0 2 399.491 4.134 20 30 GIEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000177748466 823520221 /nfs/dbraw/zinc/52/02/21/823520221.db2.gz MOVWZRJHYDDZSX-RDJZCZTQSA-N 0 2 399.491 4.134 20 30 GIEDLN COC(=O)c1ccc(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000041513870 821203129 /nfs/dbraw/zinc/20/31/29/821203129.db2.gz VGIOLDHXCDISLV-KRWDZBQOSA-N 0 2 376.437 4.395 20 30 GIEDLN N#CC(C(=O)c1cc2ccccc2oc1=O)c1nc2ccccc2n1C(F)F ZINC000041558659 821210592 /nfs/dbraw/zinc/21/05/92/821210592.db2.gz NIQDYQZUYTWTRY-ZDUSSCGKSA-N 0 2 379.322 4.028 20 30 GIEDLN N#C[C@@H](C(=O)c1cc2ccccc2oc1=O)c1nc2ccccc2n1C(F)F ZINC000041558659 821210603 /nfs/dbraw/zinc/21/06/03/821210603.db2.gz NIQDYQZUYTWTRY-ZDUSSCGKSA-N 0 2 379.322 4.028 20 30 GIEDLN C=CCn1c(=O)c2ccc(C(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)cc2[nH]c1=S ZINC000175152144 822893095 /nfs/dbraw/zinc/89/30/95/822893095.db2.gz DADLGRJWROCVGN-AUUYWEPGSA-N 0 2 391.496 4.078 20 30 GIEDLN N#CC(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cnc2ccccc2n1 ZINC000190959530 823630767 /nfs/dbraw/zinc/63/07/67/823630767.db2.gz FRVQKFFTMCBGMA-GFCCVEGCSA-N 0 2 386.289 4.047 20 30 GIEDLN N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cnc2ccccc2n1 ZINC000190959530 823630770 /nfs/dbraw/zinc/63/07/70/823630770.db2.gz FRVQKFFTMCBGMA-GFCCVEGCSA-N 0 2 386.289 4.047 20 30 GIEDLN CC(C)c1csc([C@@H](C#N)C(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000125195511 823658425 /nfs/dbraw/zinc/65/84/25/823658425.db2.gz MAPJURRUIYTWIZ-KBPBESRZSA-N 0 2 377.510 4.090 20 30 GIEDLN C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2[nH]c1=S ZINC000121116788 823121602 /nfs/dbraw/zinc/12/16/02/823121602.db2.gz BUAHKFSNDGSOFA-UHFFFAOYSA-N 0 2 385.876 4.085 20 30 GIEDLN N#CC(C(=O)c1cc(C(N)=O)cs1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000121399089 823177612 /nfs/dbraw/zinc/17/76/12/823177612.db2.gz JWGFPWVALSBLSO-LBPRGKRZSA-N 0 2 387.873 4.114 20 30 GIEDLN Cc1ccccc1-n1nc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000409471830 823228322 /nfs/dbraw/zinc/22/83/22/823228322.db2.gz SLGPABFSXKFYNM-UHFFFAOYSA-N 0 2 394.500 4.151 20 30 GIEDLN Cc1nc(Cc2ccccc2)sc1C(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000122092675 823305160 /nfs/dbraw/zinc/30/51/60/823305160.db2.gz GENXZCHLTIKTOH-INIZCTEOSA-N 0 2 386.480 4.419 20 30 GIEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCc4ccccc4[C@@H]3C)cc2[nH]c1=S ZINC000177192658 823395709 /nfs/dbraw/zinc/39/57/09/823395709.db2.gz JSOBGFWFNIQRIS-AWEZNQCLSA-N 0 2 391.496 4.005 20 30 GIEDLN Cc1ccc(-c2nc(C)c(C(=O)C(C#N)c3nc4ccccc4n3C)s2)o1 ZINC000123051101 823453920 /nfs/dbraw/zinc/45/39/20/823453920.db2.gz MHKRVPDTJDXLOC-ZDUSSCGKSA-N 0 2 376.441 4.397 20 30 GIEDLN Cc1csc(C(C#N)C(=O)CSc2nc3ccccc3n2C(F)F)n1 ZINC000031781995 820858900 /nfs/dbraw/zinc/85/89/00/820858900.db2.gz GSDBJXJEBOCPDY-JTQLQIEISA-N 0 2 378.429 4.165 20 30 GIEDLN Cc1csc(C(C#N)C(=O)CSc2nc3ccccc3n2C(F)F)n1 ZINC000031781998 820859185 /nfs/dbraw/zinc/85/91/85/820859185.db2.gz GSDBJXJEBOCPDY-SNVBAGLBSA-N 0 2 378.429 4.165 20 30 GIEDLN CC(C)c1csc(C(C#N)C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000177748458 823520153 /nfs/dbraw/zinc/52/01/53/823520153.db2.gz MOVWZRJHYDDZSX-NVXWUHKLSA-N 0 2 399.491 4.134 20 30 GIEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000177748458 823520156 /nfs/dbraw/zinc/52/01/56/823520156.db2.gz MOVWZRJHYDDZSX-NVXWUHKLSA-N 0 2 399.491 4.134 20 30 GIEDLN CC(C)c1csc(C(C#N)C(=O)c2nn(-c3ccccc3)c3c2CCC3)n1 ZINC000177757222 823521491 /nfs/dbraw/zinc/52/14/91/823521491.db2.gz GDPKTMDMWGRWDV-MRXNPFEDSA-N 0 2 376.485 4.431 20 30 GIEDLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc(C#N)cc2C)s1)c1ccccc1 ZINC000177781100 823525657 /nfs/dbraw/zinc/52/56/57/823525657.db2.gz MDXKUGGSTBBHQM-INIZCTEOSA-N 0 2 398.513 4.061 20 30 GIEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](c3ccccc3)C(C)C)cc2[nH]c1=S ZINC000123623294 823526883 /nfs/dbraw/zinc/52/68/83/823526883.db2.gz HMLQULNDIVNEAF-LJQANCHMSA-N 0 2 393.512 4.372 20 30 GIEDLN N#CC(C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1nc(-c2ccccc2)cs1 ZINC000041522686 821204973 /nfs/dbraw/zinc/20/49/73/821204973.db2.gz XLNRDFMGQSUGSO-JKSUJKDBSA-N 0 2 391.427 4.251 20 30 GIEDLN N#CC(C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1nc(-c2ccccc2)cs1 ZINC000041522680 821204982 /nfs/dbraw/zinc/20/49/82/821204982.db2.gz XLNRDFMGQSUGSO-CVEARBPZSA-N 0 2 391.427 4.251 20 30 GIEDLN N#C[C@@H](C(=O)c1cncc(Br)c1)c1nc(-c2ccccc2)cs1 ZINC000041535733 821206123 /nfs/dbraw/zinc/20/61/23/821206123.db2.gz XCZKSFGVTHJJED-AWEZNQCLSA-N 0 2 384.258 4.458 20 30 GIEDLN C=CCn1c(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccc(C)cc3)cc2[nH]c1=S ZINC000045247390 822373178 /nfs/dbraw/zinc/37/31/78/822373178.db2.gz MSKAXCVTQPEPHZ-OAHLLOKOSA-N 0 2 393.512 4.013 20 30 GIEDLN N#CC(C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1 ZINC000046441463 822473476 /nfs/dbraw/zinc/47/34/76/822473476.db2.gz MPGGTQPZKSEMQY-FQEVSTJZSA-N 0 2 397.434 4.397 20 30 GIEDLN N#C[C@@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1 ZINC000046441463 822473478 /nfs/dbraw/zinc/47/34/78/822473478.db2.gz MPGGTQPZKSEMQY-FQEVSTJZSA-N 0 2 397.434 4.397 20 30 GIEDLN Cc1csc(C(C#N)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)n1 ZINC000047358016 822570509 /nfs/dbraw/zinc/57/05/09/822570509.db2.gz UHZQBTPVKMXACB-GFCCVEGCSA-N 0 2 387.262 4.094 20 30 GIEDLN N#CC(C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1nc(-c2ccncc2)cs1 ZINC000184306055 822611602 /nfs/dbraw/zinc/61/16/02/822611602.db2.gz FITMIUYIYYZLNH-HNNXBMFYSA-N 0 2 389.415 4.224 20 30 GIEDLN N#C[C@@H](C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1nc(-c2ccncc2)cs1 ZINC000184306055 822611603 /nfs/dbraw/zinc/61/16/03/822611603.db2.gz FITMIUYIYYZLNH-HNNXBMFYSA-N 0 2 389.415 4.224 20 30 GIEDLN N#CC(C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1nc(-c2ccncc2)cs1 ZINC000184306035 822611622 /nfs/dbraw/zinc/61/16/22/822611622.db2.gz FITMIUYIYYZLNH-OAHLLOKOSA-N 0 2 389.415 4.224 20 30 GIEDLN N#C[C@H](C(=O)c1c[nH]nc1-c1ccc(F)cc1)c1nc(-c2ccncc2)cs1 ZINC000184306035 822611623 /nfs/dbraw/zinc/61/16/23/822611623.db2.gz FITMIUYIYYZLNH-OAHLLOKOSA-N 0 2 389.415 4.224 20 30 GIEDLN CC(C)NC(=O)Nc1ccccc1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000048823349 822684431 /nfs/dbraw/zinc/68/44/31/822684431.db2.gz HSBFWXHJXSVUOU-AWEZNQCLSA-N 0 2 378.457 4.316 20 30 GIEDLN CC(C)NC(=O)Nc1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000048823349 822684434 /nfs/dbraw/zinc/68/44/34/822684434.db2.gz HSBFWXHJXSVUOU-AWEZNQCLSA-N 0 2 378.457 4.316 20 30 GIEDLN CC(C)NC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1 ZINC000048824876 822684663 /nfs/dbraw/zinc/68/46/63/822684663.db2.gz HKURAGLJDXTTSS-OAHLLOKOSA-N 0 2 378.457 4.316 20 30 GIEDLN N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1C(F)(F)F ZINC000174742889 822831175 /nfs/dbraw/zinc/83/11/75/822831175.db2.gz YHSNSFLVGDFIFV-UHFFFAOYSA-N 0 2 396.177 4.080 20 30 GIEDLN CO[C@H](C)c1nc(C)c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)s1 ZINC000175119873 822885942 /nfs/dbraw/zinc/88/59/42/822885942.db2.gz XFBYPNNXRDZZOI-MNOVXSKESA-N 0 2 390.415 4.394 20 30 GIEDLN N#C[C@@H](C(=O)c1csc(-c2cccc(Cl)c2)n1)c1nnc2n1CCCCC2 ZINC000054726547 822908099 /nfs/dbraw/zinc/90/80/99/822908099.db2.gz YJGHBXKYPAGHOJ-AWEZNQCLSA-N 0 2 397.891 4.271 20 30 GIEDLN N#Cc1cc(S(=O)(=O)Nc2cccnc2Oc2ccccc2)ccc1Cl ZINC000055636328 822990395 /nfs/dbraw/zinc/99/03/95/822990395.db2.gz KGHNQIHQBUZPCA-UHFFFAOYSA-N 0 2 385.832 4.200 20 30 GIEDLN CN(C)c1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c2ccccc2n1 ZINC000124732451 823621668 /nfs/dbraw/zinc/62/16/68/823621668.db2.gz PMGOYFAILIFJBD-KRWDZBQOSA-N 0 2 399.479 4.309 20 30 GIEDLN N#CC(C(=O)c1csc(Cc2cccc(F)c2)n1)c1cnc2ccccc2n1 ZINC000190945241 823628521 /nfs/dbraw/zinc/62/85/21/823628521.db2.gz ZWBSJIZVXDNYFW-OAHLLOKOSA-N 0 2 388.427 4.306 20 30 GIEDLN COc1ccc(-c2cncc(C(=O)C(C#N)c3cnc4ccccc4n3)c2)cc1 ZINC000190961344 823631130 /nfs/dbraw/zinc/63/11/30/823631130.db2.gz XUVBWTPBKZTGRE-LJQANCHMSA-N 0 2 380.407 4.190 20 30 GIEDLN COc1ccc(-c2csc(C(C#N)C(=O)c3n[nH]c4c3CCCCC4)n2)cc1 ZINC000191008835 823637878 /nfs/dbraw/zinc/63/78/78/823637878.db2.gz LPWMMGJCAGFMCI-MRXNPFEDSA-N 0 2 392.484 4.301 20 30 GIEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000064479176 823828126 /nfs/dbraw/zinc/82/81/26/823828126.db2.gz LFRMJNYTXPEKBO-UHFFFAOYSA-N 0 2 385.272 4.291 20 30 GIEDLN N#CCc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1 ZINC000065105474 823943805 /nfs/dbraw/zinc/94/38/05/823943805.db2.gz VFGCSWLYIIYMNV-UHFFFAOYSA-N 0 2 381.233 4.158 20 30 GIEDLN N#CCCSc1ccccc1NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000170975728 824025528 /nfs/dbraw/zinc/02/55/28/824025528.db2.gz XSVINYXHKUGRJP-UHFFFAOYSA-N 0 2 388.301 4.195 20 30 GIEDLN COCCOc1ccc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)c(Cl)c1 ZINC000187522651 823080791 /nfs/dbraw/zinc/08/07/91/823080791.db2.gz OROKBGIQORURFR-AWEZNQCLSA-N 0 2 378.881 4.435 20 30 GIEDLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1F ZINC000121633720 823219894 /nfs/dbraw/zinc/21/98/94/823219894.db2.gz QNLZFZOMFHWSGX-NSHDSACASA-N 0 2 382.457 4.326 20 30 GIEDLN C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC000122099314 823306030 /nfs/dbraw/zinc/30/60/30/823306030.db2.gz BENGKIPIYGAAIR-UHFFFAOYSA-N 0 2 395.242 4.231 20 30 GIEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@H](CC)c3ccc(C)cc3)cc2[nH]c1=S ZINC000017841620 818530526 /nfs/dbraw/zinc/53/05/26/818530526.db2.gz ZKBWWMQVVASXKC-GOSISDBHSA-N 0 2 393.512 4.435 20 30 GIEDLN C[C@@H](NC(=O)N=c1ccc(C2CC2)n[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000573007480 823432755 /nfs/dbraw/zinc/43/27/55/823432755.db2.gz MVAOWUGMGJBQCP-OAHLLOKOSA-N 0 2 383.455 4.197 20 30 GIEDLN N#Cc1cc(S(=O)(=O)Nc2ccc3ccc(Cl)cc3n2)ccc1Cl ZINC000410324213 823463300 /nfs/dbraw/zinc/46/33/00/823463300.db2.gz BKPUTOGWCOVFPY-UHFFFAOYSA-N 0 2 378.240 4.214 20 30 GIEDLN CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[nH]n1 ZINC000410325768 823463585 /nfs/dbraw/zinc/46/35/85/823463585.db2.gz LORDWINMZVAGHT-JTQLQIEISA-N 0 2 386.399 4.005 20 30 GIEDLN Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)nn1-c1ccccc1Cl ZINC000181097756 821631334 /nfs/dbraw/zinc/63/13/34/821631334.db2.gz VUSQMDNVGQREKU-ZDUSSCGKSA-N 0 2 375.819 4.201 20 30 GIEDLN CC(C)c1csc(C(C#N)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000181773196 821987059 /nfs/dbraw/zinc/98/70/59/821987059.db2.gz IHWUEXTXBBYDKR-LLVKDONJSA-N 0 2 381.360 4.266 20 30 GIEDLN CC(C)c1csc([C@H](C#N)C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000181773196 821987069 /nfs/dbraw/zinc/98/70/69/821987069.db2.gz IHWUEXTXBBYDKR-LLVKDONJSA-N 0 2 381.360 4.266 20 30 GIEDLN COC(=O)C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(C(F)(F)F)cc1 ZINC000182048618 822073348 /nfs/dbraw/zinc/07/33/48/822073348.db2.gz RSZHCIBMTHSVTC-WPZNHYQYSA-N 0 2 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CCCCc1ccc(NC(=O)C(C#N)C(=O)c2occc2Br)cc1 ZINC000176092271 823118129 /nfs/dbraw/zinc/11/81/29/823118129.db2.gz GERJGCGNHXSHSH-CQSZACIVSA-N 0 2 389.249 4.346 20 30 GIEDLN CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2occc2Br)cc1 ZINC000176092271 823118131 /nfs/dbraw/zinc/11/81/31/823118131.db2.gz GERJGCGNHXSHSH-CQSZACIVSA-N 0 2 389.249 4.346 20 30 GIEDLN Cc1csc(C(C#N)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)n1 ZINC000122338322 823340422 /nfs/dbraw/zinc/34/04/22/823340422.db2.gz DWMZFILLAJKBPB-KRWDZBQOSA-N 0 2 385.452 4.189 20 30 GIEDLN Cc1csc([C@@H](C#N)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)n1 ZINC000122338322 823340430 /nfs/dbraw/zinc/34/04/30/823340430.db2.gz DWMZFILLAJKBPB-KRWDZBQOSA-N 0 2 385.452 4.189 20 30 GIEDLN Cc1cc(Cn2[nH]c(C(C)(C)C)c(CCC#N)c2=O)ccc1Br ZINC000410315230 823460765 /nfs/dbraw/zinc/46/07/65/823460765.db2.gz TVDILXUUUCDUHY-UHFFFAOYSA-N 0 2 376.298 4.462 20 30 GIEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)COc1ccc(Cl)cc1C1CCCCC1 ZINC000123306204 823493717 /nfs/dbraw/zinc/49/37/17/823493717.db2.gz AYPAPULZOHFRCH-KRWDZBQOSA-N 0 2 399.878 4.092 20 30 GIEDLN Cc1ccccc1-n1nc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c2c1CCC2 ZINC000123645359 823528907 /nfs/dbraw/zinc/52/89/07/823528907.db2.gz CIJNDVASHNCFDX-QGZVFWFLSA-N 0 2 395.466 4.046 20 30 GIEDLN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c1 ZINC000041497936 821199269 /nfs/dbraw/zinc/19/92/69/821199269.db2.gz SSOKUYSTKQLWRF-DAXOMENPSA-N 0 2 375.453 4.381 20 30 GIEDLN CCOC(=O)c1cc2cc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)ccc2[nH]1 ZINC000041499155 821199410 /nfs/dbraw/zinc/19/94/10/821199410.db2.gz PRCHANLEYDBTKH-CQSZACIVSA-N 0 2 389.436 4.444 20 30 GIEDLN COc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1 ZINC000041548717 821207695 /nfs/dbraw/zinc/20/76/95/821207695.db2.gz MQJQEBRDVFCHFX-LLVKDONJSA-N 0 2 377.347 4.209 20 30 GIEDLN Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)nn1-c1ccccc1Cl ZINC000181097732 821631284 /nfs/dbraw/zinc/63/12/84/821631284.db2.gz VUSQMDNVGQREKU-CYBMUJFWSA-N 0 2 375.819 4.201 20 30 GIEDLN COc1ccc(-c2csc([C@H](C#N)C(=O)c3cnn(C(C)C)c3C)n2)cc1 ZINC000181268532 821725703 /nfs/dbraw/zinc/72/57/03/821725703.db2.gz NEZSWFBEAQPMHU-MRXNPFEDSA-N 0 2 380.473 4.395 20 30 GIEDLN N#CC(C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1 ZINC000046441461 822473471 /nfs/dbraw/zinc/47/34/71/822473471.db2.gz MPGGTQPZKSEMQY-HXUWFJFHSA-N 0 2 397.434 4.397 20 30 GIEDLN N#C[C@H](C(=O)COc1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1 ZINC000046441461 822473472 /nfs/dbraw/zinc/47/34/72/822473472.db2.gz MPGGTQPZKSEMQY-HXUWFJFHSA-N 0 2 397.434 4.397 20 30 GIEDLN Cc1cc(C)c2ncc(C#N)c(NCc3nnc(COc4ccccc4)[nH]3)c2c1 ZINC000184778323 822689586 /nfs/dbraw/zinc/68/95/86/822689586.db2.gz AOXCZQHFZLVQQJ-UHFFFAOYSA-N 0 2 384.443 4.033 20 30 GIEDLN Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn(C)c3-n3cccc3)n2)cc1 ZINC000051153937 822748394 /nfs/dbraw/zinc/74/83/94/822748394.db2.gz GOFRMZKSKVTCOB-INIZCTEOSA-N 0 2 387.468 4.133 20 30 GIEDLN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cnn4c3C[C@H](C)CC4)n2)cc1 ZINC000568999837 822868663 /nfs/dbraw/zinc/86/86/63/822868663.db2.gz VCENZSIRLDQLGF-CJNGLKHVSA-N 0 2 392.484 4.088 20 30 GIEDLN Cc1ccnc(Oc2cc(NS(=O)(=O)c3ccc(C#N)cc3F)ccc2C)c1 ZINC000569869157 822978575 /nfs/dbraw/zinc/97/85/75/822978575.db2.gz BXFLUSIBGKGDLB-UHFFFAOYSA-N 0 2 397.431 4.302 20 30 GIEDLN N#Cc1cc(S(=O)(=O)Nc2ccc(C3CCC3)cn2)ccc1C(F)(F)F ZINC000570038374 822999715 /nfs/dbraw/zinc/99/97/15/822999715.db2.gz HSWJYRBQSHRTPL-UHFFFAOYSA-N 0 2 381.379 4.040 20 30 GIEDLN CC(C)COc1ncc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cc1Cl ZINC000190898087 823621532 /nfs/dbraw/zinc/62/15/32/823621532.db2.gz HWSTUZJKBAODIZ-CQSZACIVSA-N 0 2 380.835 4.203 20 30 GIEDLN N#CC(C(=O)c1csc(Cc2cccc(F)c2)n1)c1cnc2ccccc2n1 ZINC000190945261 823628468 /nfs/dbraw/zinc/62/84/68/823628468.db2.gz ZWBSJIZVXDNYFW-HNNXBMFYSA-N 0 2 388.427 4.306 20 30 GIEDLN N#CC(C(=O)c1ccccc1[N+](=O)[O-])c1nc(-c2c(F)cccc2F)cs1 ZINC000064714880 823869684 /nfs/dbraw/zinc/86/96/84/823869684.db2.gz PSWIBPFLDIFRAW-LLVKDONJSA-N 0 2 385.351 4.487 20 30 GIEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C(C)C)C3)cc2[nH]c1=S ZINC000170903488 824003778 /nfs/dbraw/zinc/00/37/78/824003778.db2.gz HDRHBMQGTCWZSP-GOEBONIOSA-N 0 2 385.533 4.190 20 30 GIEDLN C=CCn1c(=O)c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2[nH]c1=S ZINC000192637074 824052845 /nfs/dbraw/zinc/05/28/45/824052845.db2.gz BCBMQISJAVDMKH-UHFFFAOYSA-N 0 2 379.485 4.049 20 30 GIEDLN