smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC=C(C)C)cc1 ZINC000004865455 204084305 /nfs/dbraw/zinc/08/43/05/204084305.db2.gz JSKFDVVTQPERHH-WOJGMQOQSA-N 0 2 390.421 3.378 10 30 GGEELN COc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1 ZINC000006694051 204192219 /nfs/dbraw/zinc/19/22/19/204192219.db2.gz WDYHBKZZJKCGBK-UHFFFAOYSA-N 0 2 392.440 3.048 10 30 GGEELN N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)cc1 ZINC000045961783 205100835 /nfs/dbraw/zinc/10/08/35/205100835.db2.gz IEOAMBQRBWPCDK-UHFFFAOYSA-N 0 2 389.502 3.437 10 30 GGEELN Cc1nn(C)c(C)c1-c1c(C#N)c(N)nc2c1CN(c1ccc(F)cc1)CC2 ZINC000072146967 136167031 /nfs/dbraw/zinc/16/70/31/136167031.db2.gz UYDJJLMDJAIQHY-UHFFFAOYSA-N 0 2 376.439 3.255 10 30 GGEELN C=CCOc1cccc(-c2nnc(CCC(=O)NC3CCCCC3)c(=O)[nH]2)c1 ZINC000034764636 519050827 /nfs/dbraw/zinc/05/08/27/519050827.db2.gz KIMPRCCSFAAOAX-UHFFFAOYSA-N 0 2 382.464 3.191 10 30 GGEELN Cc1[nH]n(Cc2ccccc2)c(=O)c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N ZINC000095351604 520891556 /nfs/dbraw/zinc/89/15/56/520891556.db2.gz SJSYEZFNLZPPOT-PMACEKPBSA-N 0 2 387.399 3.376 10 30 GGEELN COc1ccc(/N=C2\S[C@H](CC(N)=O)C(=O)N2CCCc2ccccc2)cc1 ZINC000020247978 523471519 /nfs/dbraw/zinc/47/15/19/523471519.db2.gz DSKTWNQBUUALLP-GLEDVZQVSA-N 0 2 397.500 3.135 10 30 GGEELN Cc1cccc(NC(=O)CC2S/C(=N/c3ccc4c(c3)OCO4)N(C)C2=O)c1 ZINC000059245296 524605988 /nfs/dbraw/zinc/60/59/88/524605988.db2.gz WWRHRJAXIWOLPM-XGIGFIBQSA-N 0 2 397.456 3.314 10 30 GGEELN Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc4c(c3)OCO4)N(C)C2=O)c1 ZINC000059245296 524606004 /nfs/dbraw/zinc/60/60/04/524606004.db2.gz WWRHRJAXIWOLPM-XGIGFIBQSA-N 0 2 397.456 3.314 10 30 GGEELN Cc1csc(C(C#N)C(=O)CSc2nnc(Cc3cccs3)n2C)n1 ZINC000007834825 526401811 /nfs/dbraw/zinc/40/18/11/526401811.db2.gz QMEASBMSMNUYFQ-LBPRGKRZSA-N 0 2 389.531 3.201 10 30 GGEELN Cc1csc([C@@H](C#N)C(=O)CSc2nnc(Cc3cccs3)n2C)n1 ZINC000007834825 526401820 /nfs/dbraw/zinc/40/18/20/526401820.db2.gz QMEASBMSMNUYFQ-LBPRGKRZSA-N 0 2 389.531 3.201 10 30 GGEELN O=C(CC1S/C(=N/N=C\c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 ZINC000028050166 527184209 /nfs/dbraw/zinc/18/42/09/527184209.db2.gz CIRMKUGXTNXPQD-UWOKGBPVSA-N 0 2 386.864 3.290 10 30 GGEELN O=C(C[C@H]1S/C(=N/N=C\c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 ZINC000028050166 527184216 /nfs/dbraw/zinc/18/42/16/527184216.db2.gz CIRMKUGXTNXPQD-UWOKGBPVSA-N 0 2 386.864 3.290 10 30 GGEELN N#Cc1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)cn2)ccc1Cl ZINC000116601628 564213216 /nfs/dbraw/zinc/21/32/16/564213216.db2.gz TUVBHNVSGDMKGY-UHFFFAOYSA-N 0 2 376.869 3.398 10 30 GGEELN C=CCCCN(C)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000129257930 564643740 /nfs/dbraw/zinc/64/37/40/564643740.db2.gz ILTTXMAATSBEEK-UHFFFAOYSA-N 0 2 380.491 3.293 10 30 GGEELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000108252014 565008620 /nfs/dbraw/zinc/00/86/20/565008620.db2.gz UIQDZUZRYGQDBC-JTQLQIEISA-N 0 2 384.914 3.435 10 30 GGEELN C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000153982949 565020233 /nfs/dbraw/zinc/02/02/33/565020233.db2.gz LYNZDRWHWSLRJY-SNVBAGLBSA-N 0 2 395.282 3.289 10 30 GGEELN N#Cc1cccnc1-n1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000185581402 565209841 /nfs/dbraw/zinc/20/98/41/565209841.db2.gz MEQQRLZMVAQERZ-UHFFFAOYSA-N 0 2 394.243 3.247 10 30 GGEELN N#Cc1cccnc1-n1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000185581315 565210150 /nfs/dbraw/zinc/21/01/50/565210150.db2.gz WPLHBFFGGQNTNR-UHFFFAOYSA-N 0 2 394.243 3.247 10 30 GGEELN CCn1ncc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C(F)(F)F ZINC000410401758 565683592 /nfs/dbraw/zinc/68/35/92/565683592.db2.gz GWDMWYNQFAKATF-UHFFFAOYSA-N 0 2 378.763 3.248 10 30 GGEELN C=CC(C)(C)CCNS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000625328598 566307188 /nfs/dbraw/zinc/30/71/88/566307188.db2.gz YBMSWJXKTZHGDX-UHFFFAOYSA-N 0 2 380.844 3.457 10 30 GGEELN Cc1ccc(C#N)cc1S(=O)(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000601959905 566434665 /nfs/dbraw/zinc/43/46/65/566434665.db2.gz PELYRSFIXTZQQC-UHFFFAOYSA-N 0 2 398.338 3.173 10 30 GGEELN Cc1c(NS(=O)(=O)c2ccccc2C#N)cc(Br)cc1[N+](=O)[O-] ZINC000485397299 566495520 /nfs/dbraw/zinc/49/55/20/566495520.db2.gz UJQCSQWXKSBYSV-UHFFFAOYSA-N 0 2 396.222 3.338 10 30 GGEELN N#Cc1ccc2[nH+]cc(/C=C/c3nc(C(=O)[O-])c(Br)s3)n2c1 ZINC000485998738 566547116 /nfs/dbraw/zinc/54/71/16/566547116.db2.gz BHPHTUKWDVMNIM-DUXPYHPUSA-N 0 2 375.207 3.294 10 30 GGEELN N#Cc1cc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cnc1C(F)(F)F ZINC000559695606 566566773 /nfs/dbraw/zinc/56/67/73/566566773.db2.gz FRQGEDGBBMUWEF-UHFFFAOYSA-N 0 2 381.364 3.226 10 30 GGEELN N#C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(Br)c1 ZINC000539465019 566583032 /nfs/dbraw/zinc/58/30/32/566583032.db2.gz DEZNSJSMCZFFBJ-GFCCVEGCSA-N 0 2 376.166 3.058 10 30 GGEELN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000486559781 566597475 /nfs/dbraw/zinc/59/74/75/566597475.db2.gz IQJQGJBNTRNSMP-UHFFFAOYSA-N 0 2 378.866 3.474 10 30 GGEELN CC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1Cl ZINC000541164033 566699224 /nfs/dbraw/zinc/69/92/24/566699224.db2.gz DXVFKIFDGOOADH-UHFFFAOYSA-N 0 2 379.781 3.123 10 30 GGEELN COc1cc(OC)c(S(=O)(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000488416831 566725767 /nfs/dbraw/zinc/72/57/67/566725767.db2.gz CSTWBCNKDWUWJE-UHFFFAOYSA-N 0 2 382.825 3.038 10 30 GGEELN COc1cc(S(=O)(=O)Nc2ccc(Br)cc2C#N)ccc1F ZINC000468853306 566737264 /nfs/dbraw/zinc/73/72/64/566737264.db2.gz GKUKBYDAYNTBQO-UHFFFAOYSA-N 0 2 385.214 3.269 10 30 GGEELN COC(=O)c1nc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)sc1C(C)C ZINC000561773533 566738635 /nfs/dbraw/zinc/73/86/35/566738635.db2.gz RIQJYLARNPLLQE-UHFFFAOYSA-N 0 2 399.881 3.379 10 30 GGEELN Cc1ncc(S(=O)(=O)Nc2cccc(Cl)c2OCC(F)F)cc1C#N ZINC000427316807 566765580 /nfs/dbraw/zinc/76/55/80/566765580.db2.gz SNXIXAAEVHBSIC-UHFFFAOYSA-N 0 2 387.795 3.360 10 30 GGEELN C=CCCCS(=O)(=O)Nc1ncc(Cc2cccc(C(=O)OC)c2)s1 ZINC000427779923 566798014 /nfs/dbraw/zinc/79/80/14/566798014.db2.gz PSUDBFHOQBMBTN-UHFFFAOYSA-N 0 2 380.491 3.228 10 30 GGEELN N#Cc1cc(Cl)ccc1-n1ccc(NS(=O)(=O)c2ccc(F)cc2)n1 ZINC000542984937 566844386 /nfs/dbraw/zinc/84/43/86/566844386.db2.gz VVAQUHAYLWSNGX-UHFFFAOYSA-N 0 2 376.800 3.337 10 30 GGEELN Cc1nc(NS(=O)(=O)c2cccc(Br)c2C#N)cc(C2CC2)n1 ZINC000563227105 566867159 /nfs/dbraw/zinc/86/71/59/566867159.db2.gz VYRVTZTUIXQZRU-UHFFFAOYSA-N 0 2 393.266 3.097 10 30 GGEELN CCOC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000611443953 566919206 /nfs/dbraw/zinc/91/92/06/566919206.db2.gz AMOBJBSJSKAXSI-UHFFFAOYSA-N 0 2 382.800 3.328 10 30 GGEELN CN(C)c1cccc(S(=O)(=O)Nc2cc(Br)ccc2C#N)c1 ZINC000493278028 566945152 /nfs/dbraw/zinc/94/51/52/566945152.db2.gz CBTFDXBASJCEGS-UHFFFAOYSA-N 0 2 380.267 3.188 10 30 GGEELN C=CCCC(C)(C)CNC(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000635261509 567088744 /nfs/dbraw/zinc/08/87/44/567088744.db2.gz CLTPIWBOHQNWIX-UHFFFAOYSA-N 0 2 378.523 3.044 10 30 GGEELN N#Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2O)c(F)c1 ZINC000526949748 567299821 /nfs/dbraw/zinc/29/98/21/567299821.db2.gz JTCRSSCXQYFSSL-UHFFFAOYSA-N 0 2 376.287 3.102 10 30 GGEELN CO[C@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)c1cccc(Cl)c1 ZINC000476463775 567325519 /nfs/dbraw/zinc/32/55/19/567325519.db2.gz VGWZOCQFTPQFHM-CQSZACIVSA-N 0 2 377.853 3.152 10 30 GGEELN COc1cc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)c(OC)cc1Cl ZINC000476653484 567342778 /nfs/dbraw/zinc/34/27/78/567342778.db2.gz JJEJTRIRZYLUBO-UHFFFAOYSA-N 0 2 379.825 3.304 10 30 GGEELN CC(C)(C)c1nc(=NC(=O)Cc2ccc(Br)cc2C#N)s[nH]1 ZINC000593049135 567380891 /nfs/dbraw/zinc/38/08/91/567380891.db2.gz LLSRJGZFQQLUOF-UHFFFAOYSA-N 0 2 379.283 3.073 10 30 GGEELN CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1ccsc1C#N ZINC000593196908 567395060 /nfs/dbraw/zinc/39/50/60/567395060.db2.gz OQKAUVATVMEUIP-UHFFFAOYSA-N 0 2 386.882 3.489 10 30 GGEELN N#Cc1sccc1S(=O)(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000593193856 567395151 /nfs/dbraw/zinc/39/51/51/567395151.db2.gz JEHMZNJBBQXVJB-UHFFFAOYSA-N 0 2 375.475 3.047 10 30 GGEELN N#Cc1sccc1S(=O)(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000593194459 567395195 /nfs/dbraw/zinc/39/51/95/567395195.db2.gz GEHNQHGZEYVXLS-UHFFFAOYSA-N 0 2 376.463 3.048 10 30 GGEELN Cc1ccc(NS(=O)(=O)c2ccsc2C#N)c(OC[C@H]2CCCO2)c1 ZINC000593197317 567395864 /nfs/dbraw/zinc/39/58/64/567395864.db2.gz WPZNEHPYPDEQKA-CYBMUJFWSA-N 0 2 378.475 3.287 10 30 GGEELN CCOCCOCc1cccc(NS(=O)(=O)c2ccsc2C#N)c1C ZINC000593207895 567397997 /nfs/dbraw/zinc/39/79/97/567397997.db2.gz XNMDFDDJCLRYPA-UHFFFAOYSA-N 0 2 380.491 3.282 10 30 GGEELN COC(=O)c1c(C)csc1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593278816 567402623 /nfs/dbraw/zinc/40/26/23/567402623.db2.gz AMTHZJIYCSGBSK-UHFFFAOYSA-N 0 2 378.475 3.445 10 30 GGEELN Cc1c(NS(=O)(=O)c2cccc(Br)c2C#N)[nH]nc1C(C)C ZINC000593280803 567403959 /nfs/dbraw/zinc/40/39/59/567403959.db2.gz MFUZYZCCANKWQY-UHFFFAOYSA-N 0 2 383.271 3.277 10 30 GGEELN N#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cc1 ZINC000436957598 567470835 /nfs/dbraw/zinc/47/08/35/567470835.db2.gz YUONXGDXMVTAFB-CYBMUJFWSA-N 0 2 376.166 3.058 10 30 GGEELN Cn1ncc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1C(F)F ZINC000619693798 567474434 /nfs/dbraw/zinc/47/44/34/567474434.db2.gz XVYTXLUTUCTLEM-UHFFFAOYSA-N 0 2 380.298 3.049 10 30 GGEELN CCN(CC)Cc1csc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000594582096 567488139 /nfs/dbraw/zinc/48/81/39/567488139.db2.gz JCCMJVXQWBDRMD-UHFFFAOYSA-N 0 2 384.914 3.311 10 30 GGEELN Cc1nc(NS(=O)(=O)c2ccc3ncsc3c2)sc1SCC#N ZINC000479072461 567501288 /nfs/dbraw/zinc/50/12/88/567501288.db2.gz BNHLEQKMJRVKOQ-UHFFFAOYSA-N 0 2 382.517 3.478 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)cc1C#N ZINC000440280400 567621956 /nfs/dbraw/zinc/62/19/56/567621956.db2.gz ILOXLACPKFYEJO-JTQLQIEISA-N 0 2 377.853 3.231 10 30 GGEELN C[C@@H](CC#N)C(=O)N[C@@H](C)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000597438322 567699185 /nfs/dbraw/zinc/69/91/85/567699185.db2.gz DAGISEWJTAGCNW-STQMWFEESA-N 0 2 377.491 3.276 10 30 GGEELN N#Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1C(F)(F)F ZINC000532948724 567744156 /nfs/dbraw/zinc/74/41/56/567744156.db2.gz RTJGKHHXYJDYSU-UHFFFAOYSA-N 0 2 384.261 3.120 10 30 GGEELN O=C(C=CC1=Cc2cc(Cl)ccc2OC1)NS(=O)(=O)c1cccnc1 ZINC000048532306 570252862 /nfs/dbraw/zinc/25/28/62/570252862.db2.gz VRUDUARNFQYDEZ-UTCJRWHESA-N 0 2 376.821 3.412 10 30 GGEELN COc1ccc(C)cc1NC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N ZINC000014250699 570304193 /nfs/dbraw/zinc/30/41/93/570304193.db2.gz XSDJRJCGPYJDPE-UHFFFAOYSA-N 0 2 397.378 3.313 10 30 GGEELN N#Cc1ccc(Cn2cnc(NS(=O)(=O)c3cccc4ccccc43)n2)cc1 ZINC000176587008 570445631 /nfs/dbraw/zinc/44/56/31/570445631.db2.gz SPDIZZPNEBEYQS-UHFFFAOYSA-N 0 2 389.440 3.152 10 30 GGEELN COc1ccc(C=[NH+]Nc2nnc(SCC(=O)OC3CCCCC3)[n-]2)cc1 ZINC000009695127 570560724 /nfs/dbraw/zinc/56/07/24/570560724.db2.gz QYQJPVNPNLSOTF-YBFXNURJSA-N 0 2 389.481 3.227 10 30 GGEELN Cc1[nH]n(Cc2ccccc2)c(=O)c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N ZINC000000848863 570661880 /nfs/dbraw/zinc/66/18/80/570661880.db2.gz SJSYEZFNLZPPOT-UXHICEINSA-N 0 2 387.399 3.376 10 30 GGEELN CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@@H](C)CCCC(C)C)[nH]c1=O ZINC000012776196 571029106 /nfs/dbraw/zinc/02/91/06/571029106.db2.gz WMMLYBMEQNJDPO-ZDUSSCGKSA-N 0 2 393.509 3.259 10 30 GGEELN COc1ccc(CNC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3)N(C)C2=O)cc1 ZINC000252621121 571033215 /nfs/dbraw/zinc/03/32/15/571033215.db2.gz MTHWACRWUOTEAO-SFHVURJKSA-N 0 2 397.500 3.271 10 30 GGEELN COc1ccc(CNC(=O)CC2SC(=Nc3ccc(C)cc3)N(C)C2=O)cc1 ZINC000252621121 571033218 /nfs/dbraw/zinc/03/32/18/571033218.db2.gz MTHWACRWUOTEAO-SFHVURJKSA-N 0 2 397.500 3.271 10 30 GGEELN COC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1C#N ZINC000121714259 1414232869 /nfs/dbraw/zinc/23/28/69/1414232869.db2.gz ZPCIHSDHNXNEPH-UHFFFAOYSA-N 0 2 384.335 3.164 10 30 GGEELN C[C@H]1CN(c2ccccc2NS(=O)(=O)c2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000125501993 1415215098 /nfs/dbraw/zinc/21/50/98/1415215098.db2.gz GTFWFHXSBOZXNI-KBPBESRZSA-N 0 2 389.452 3.112 10 30 GGEELN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(CCc2ccccc2)C1=O ZINC000255119363 1433876723 /nfs/dbraw/zinc/87/67/23/1433876723.db2.gz BWMAKSIDYXIXCC-SFHVURJKSA-N 0 2 399.491 3.444 10 30 GGEELN CNC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(CCc2ccccc2)C1=O ZINC000255119362 1433876793 /nfs/dbraw/zinc/87/67/93/1433876793.db2.gz BWMAKSIDYXIXCC-GOSISDBHSA-N 0 2 399.491 3.444 10 30 GGEELN C#CCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000005696070 206228584 /nfs/dbraw/zinc/22/85/84/206228584.db2.gz FGRAYFDBWIZBCW-UYRXBGFRSA-N 0 2 383.407 3.249 10 30 GGEELN N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(-c2cccc3ncccc32)c1=O ZINC000014157783 207012042 /nfs/dbraw/zinc/01/20/42/207012042.db2.gz VZNZAFBRSZWEKI-UHFFFAOYSA-N 0 2 385.354 3.333 10 30 GGEELN C=CCCOc1ccc(-c2nnc(CCC(=O)NCCC(C)C)c(=O)[nH]2)cc1 ZINC000034764276 518708966 /nfs/dbraw/zinc/70/89/66/518708966.db2.gz JBJCAFUGEYIYAN-UHFFFAOYSA-N 0 2 384.480 3.294 10 30 GGEELN CCCC[S+](CCCC)c1c([O-])[nH]c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000004602374 521255901 /nfs/dbraw/zinc/25/59/01/521255901.db2.gz HFGXPVVAJPMXEQ-UHFFFAOYSA-O 0 2 381.493 3.007 10 30 GGEELN CCCC[S+](CCCC)c1c([O-])n(Cc2ccc(F)cc2)c(=O)[nH]c1=O ZINC000004602374 521255908 /nfs/dbraw/zinc/25/59/08/521255908.db2.gz HFGXPVVAJPMXEQ-UHFFFAOYSA-O 0 2 381.493 3.007 10 30 GGEELN COc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3F)C(=O)N2C)cc1 ZINC000102408350 523465958 /nfs/dbraw/zinc/46/59/58/523465958.db2.gz OWQLUKORAHUOKP-YGCDDZCOSA-N 0 2 387.436 3.424 10 30 GGEELN COc1cccc(/N=C2/SC(CC(=O)Nc3ccccc3F)C(=O)N2C)c1 ZINC000102406727 525778618 /nfs/dbraw/zinc/77/86/18/525778618.db2.gz IDPSDJWAODUDTI-QQMHEVNUSA-N 0 2 387.436 3.424 10 30 GGEELN COc1cccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C)c1 ZINC000102406727 525778627 /nfs/dbraw/zinc/77/86/27/525778627.db2.gz IDPSDJWAODUDTI-QQMHEVNUSA-N 0 2 387.436 3.424 10 30 GGEELN O=[N+]([O-])c1ccc(O)c(C=NNc2ccccc2I)c1 ZINC000036062198 527369120 /nfs/dbraw/zinc/36/91/20/527369120.db2.gz WHTUWKAPEFRSOG-OVCLIPMQSA-N 0 2 383.145 3.351 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1C#N ZINC000129823878 564662139 /nfs/dbraw/zinc/66/21/39/564662139.db2.gz XELLUWAZZBZKBM-ZANVPECISA-N 0 2 377.828 3.047 10 30 GGEELN COCCOc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000066585974 564770456 /nfs/dbraw/zinc/77/04/56/564770456.db2.gz WGFROPDASAHVFM-UHFFFAOYSA-N 0 2 384.816 3.177 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)cc1C#N ZINC000106920596 564992448 /nfs/dbraw/zinc/99/24/48/564992448.db2.gz SHZCRBFUIMNNTE-VIFPVBQESA-N 0 2 376.507 3.213 10 30 GGEELN [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@H]1CCOc2ccc(Br)cc21 ZINC000329611023 565672923 /nfs/dbraw/zinc/67/29/23/565672923.db2.gz NXQSVYPXTKOSED-YPMHNXCESA-N 0 2 391.269 3.057 10 30 GGEELN [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@H]1CCOc2ccc(Br)cc21 ZINC000329611023 565672932 /nfs/dbraw/zinc/67/29/32/565672932.db2.gz NXQSVYPXTKOSED-YPMHNXCESA-N 0 2 391.269 3.057 10 30 GGEELN N#Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)ccc1C(F)(F)F ZINC000410328154 565677752 /nfs/dbraw/zinc/67/77/52/565677752.db2.gz NCLKTZYVZOQYNQ-UHFFFAOYSA-N 0 2 384.261 3.120 10 30 GGEELN C=CCCCN(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000177080327 565826172 /nfs/dbraw/zinc/82/61/72/565826172.db2.gz VBYULZBJSOQWKK-UHFFFAOYSA-N 0 2 380.495 3.374 10 30 GGEELN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)o2)s1 ZINC000194839203 565841604 /nfs/dbraw/zinc/84/16/04/565841604.db2.gz SSEPJRWBHBNJCX-UHFFFAOYSA-N 0 2 380.838 3.432 10 30 GGEELN Cc1nc(C(F)(F)F)ccc1NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000509382826 566297103 /nfs/dbraw/zinc/29/71/03/566297103.db2.gz ALFRWDAKZLLIHP-UHFFFAOYSA-N 0 2 377.294 3.360 10 30 GGEELN N#CCc1cccc(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)c1 ZINC000601959344 566434444 /nfs/dbraw/zinc/43/44/44/566434444.db2.gz KACXDBCWAQEPCQ-UHFFFAOYSA-N 0 2 398.338 3.059 10 30 GGEELN Cc1cc(S(=O)(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)ccc1C#N ZINC000601958327 566434733 /nfs/dbraw/zinc/43/47/33/566434733.db2.gz AFBNFFNBJYQIEI-UHFFFAOYSA-N 0 2 398.338 3.173 10 30 GGEELN C=CCOc1c(Br)cc(C[N@@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])cc1OC ZINC000650794247 566479641 /nfs/dbraw/zinc/47/96/41/566479641.db2.gz XUKZSFMEUINREZ-FZMZJTMJSA-N 0 2 384.270 3.460 10 30 GGEELN C=CCOc1c(Br)cc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])cc1OC ZINC000650794247 566479648 /nfs/dbraw/zinc/47/96/48/566479648.db2.gz XUKZSFMEUINREZ-FZMZJTMJSA-N 0 2 384.270 3.460 10 30 GGEELN Cc1c(C#N)c(Br)ccc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000424063474 566508160 /nfs/dbraw/zinc/50/81/60/566508160.db2.gz IUQQEYREXXAYHG-UHFFFAOYSA-N 0 2 383.271 3.207 10 30 GGEELN COc1cc(OC)c(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)c(OC)c1 ZINC000488253404 566717470 /nfs/dbraw/zinc/71/74/70/566717470.db2.gz LMMPKIQSHXECQK-UHFFFAOYSA-N 0 2 382.825 3.038 10 30 GGEELN N#Cc1ccnc(NS(=O)(=O)c2cc(Br)cc3cccnc32)c1 ZINC000580915011 566734366 /nfs/dbraw/zinc/73/43/66/566734366.db2.gz HSWWCFPDRMQSOA-UHFFFAOYSA-N 0 2 389.234 3.065 10 30 GGEELN CCOc1ccc(Br)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427207547 566757285 /nfs/dbraw/zinc/75/72/85/566757285.db2.gz WDHQWDQOXVMDEW-UHFFFAOYSA-N 0 2 396.266 3.224 10 30 GGEELN COc1cc(C)c(Br)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427309841 566765600 /nfs/dbraw/zinc/76/56/00/566765600.db2.gz WLEYMDDDDILWOP-UHFFFAOYSA-N 0 2 396.266 3.142 10 30 GGEELN C=CCOc1ccc(Br)cc1NS(=O)(=O)C[C@@H](OC)C1CC1 ZINC000516970600 566797096 /nfs/dbraw/zinc/79/70/96/566797096.db2.gz WQIFZWKYBDFZKR-OAHLLOKOSA-N 0 2 390.299 3.181 10 30 GGEELN Cc1ncc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)cc1C#N ZINC000427789794 566797248 /nfs/dbraw/zinc/79/72/48/566797248.db2.gz PUTVHFQRUVKFFZ-UHFFFAOYSA-N 0 2 384.364 3.090 10 30 GGEELN COC[C@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)c1ccc(Cl)cc1 ZINC000428067319 566814070 /nfs/dbraw/zinc/81/40/70/566814070.db2.gz SMCDWAURCVQILO-AWEZNQCLSA-N 0 2 377.853 3.152 10 30 GGEELN CC[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(F)(F)F ZINC000451445325 566819579 /nfs/dbraw/zinc/81/95/79/566819579.db2.gz LQJIBBHLYKZXIA-JTQLQIEISA-N 0 2 389.168 3.079 10 30 GGEELN CC(C)N1CCc2nc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)sc2C1 ZINC000544080162 566935996 /nfs/dbraw/zinc/93/59/96/566935996.db2.gz 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ZINC000476831303 567351260 /nfs/dbraw/zinc/35/12/60/567351260.db2.gz SYDQJYBBQYDLCF-UHFFFAOYSA-N 0 2 377.809 3.058 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)Nc2cc(Cl)ccc2NC(C)=O)cc1C#N ZINC000476884551 567354921 /nfs/dbraw/zinc/35/49/21/567354921.db2.gz TUXLXEPSXYETLR-UHFFFAOYSA-N 0 2 376.825 3.245 10 30 GGEELN N#Cc1sccc1S(=O)(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000593197887 567395730 /nfs/dbraw/zinc/39/57/30/567395730.db2.gz ZXSNNYNBOPTXOA-ZDUSSCGKSA-N 0 2 378.475 3.368 10 30 GGEELN CC(C)(C)[S@](=O)Cc1cccc(NS(=O)(=O)c2ccsc2C#N)c1 ZINC000593203524 567396296 /nfs/dbraw/zinc/39/62/96/567396296.db2.gz MIPCXIZCVQRHJY-HSZRJFAPSA-N 0 2 382.532 3.468 10 30 GGEELN N#Cc1sccc1S(=O)(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000593205086 567396441 /nfs/dbraw/zinc/39/64/41/567396441.db2.gz VPFAHYWEQSLERO-LBPRGKRZSA-N 0 2 382.438 3.117 10 30 GGEELN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c1 ZINC000437338401 567493031 /nfs/dbraw/zinc/49/30/31/567493031.db2.gz GBXAHSKGEPNBFU-UHFFFAOYSA-N 0 2 386.260 3.105 10 30 GGEELN 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386.433 3.387 10 30 GGEELN COc1ccccc1NC(=O)C[C@@H]1SC(=NN=Cc2ccc(C)o2)NC1=O ZINC000252598979 571004685 /nfs/dbraw/zinc/00/46/85/571004685.db2.gz DGABPRXXXIVIGC-HNNXBMFYSA-N 0 2 386.433 3.387 10 30 GGEELN CCOC(=O)c1cnn(-c2ccccc2)c1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000252632973 1433863659 /nfs/dbraw/zinc/86/36/59/1433863659.db2.gz VYNCPVDEILUJSA-UHFFFAOYSA-N 0 2 380.360 3.413 10 30 GGEELN COc1ccccc1N=C1SC(C)C(=O)N1S(=O)(=O)c1ccccc1C ZINC000254837819 1433872200 /nfs/dbraw/zinc/87/22/00/1433872200.db2.gz UYPNLKRUZFCPKI-CYBMUJFWSA-N 0 2 390.486 3.344 10 30 GGEELN N#Cc1cnc(C#N)c(Nc2cc(Br)c(O)c(Br)c2)n1 ZINC000090568385 209237586 /nfs/dbraw/zinc/23/75/86/209237586.db2.gz GHUSBUCIAXZBTG-UHFFFAOYSA-N 0 2 395.014 3.194 10 30 GGEELN CCOC(=O)c1c(C)[nH]c(C(O)=C(C#N)C(=O)c2ccc3cc[nH]c3c2)c1C ZINC000103613478 521379382 /nfs/dbraw/zinc/37/93/82/521379382.db2.gz LAJIDSDDTPGCCR-HNNXBMFYSA-N 0 2 377.400 3.495 10 30 GGEELN COc1ccc(/N=C2\S[C@@H](CC(N)=O)C(=O)N2CCCc2ccccc2)cc1 ZINC000020247975 523473562 /nfs/dbraw/zinc/47/35/62/523473562.db2.gz DSKTWNQBUUALLP-NKWDDMGQSA-N 0 2 397.500 3.135 10 30 GGEELN COc1ccc(CNC(=O)C[C@@H]2S/C(=N/c3ccc(C)cc3)N(C)C2=O)cc1 ZINC000001415929 524054555 /nfs/dbraw/zinc/05/45/55/524054555.db2.gz MTHWACRWUOTEAO-MLSMKVKPSA-N 0 2 397.500 3.271 10 30 GGEELN COc1ccc(CNC(=O)CC2S/C(=N/c3ccc(C)cc3)N(C)C2=O)cc1 ZINC000001415929 524054558 /nfs/dbraw/zinc/05/45/58/524054558.db2.gz MTHWACRWUOTEAO-MLSMKVKPSA-N 0 2 397.500 3.271 10 30 GGEELN COc1ccc(NC(=O)CC2S/C(=N/c3cccc(F)c3)N(C)C2=O)cc1 ZINC000102406976 524523029 /nfs/dbraw/zinc/52/30/29/524523029.db2.gz KHOLOIGNIWKXOQ-UFIXSJTLSA-N 0 2 387.436 3.424 10 30 GGEELN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc(F)c3)N(C)C2=O)cc1 ZINC000102406976 524523036 /nfs/dbraw/zinc/52/30/36/524523036.db2.gz KHOLOIGNIWKXOQ-UFIXSJTLSA-N 0 2 387.436 3.424 10 30 GGEELN Cc1ccccc1NC(=O)CC1S/C(=N\c2ccc3c(c2)OCCO3)NC1=O ZINC000005932130 525243036 /nfs/dbraw/zinc/24/30/36/525243036.db2.gz PZDSBDMXPNWHKL-QGZVFWFLSA-N 0 2 397.456 3.014 10 30 GGEELN Cc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccc3c(c2)OCCO3)NC1=O ZINC000005932130 525243052 /nfs/dbraw/zinc/24/30/52/525243052.db2.gz PZDSBDMXPNWHKL-QGZVFWFLSA-N 0 2 397.456 3.014 10 30 GGEELN O=C(CC1S/C(=N/C2CC2)NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000007126464 564233048 /nfs/dbraw/zinc/23/30/48/564233048.db2.gz MDPIYNXRSGGULH-NSHDSACASA-N 0 2 391.802 3.437 10 30 GGEELN O=C(C[C@@H]1S/C(=N/C2CC2)NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000007126464 564233050 /nfs/dbraw/zinc/23/30/50/564233050.db2.gz MDPIYNXRSGGULH-NSHDSACASA-N 0 2 391.802 3.437 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)cc1C#N ZINC000129233318 564642571 /nfs/dbraw/zinc/64/25/71/564642571.db2.gz XSPATSHLVWSHRN-LLVKDONJSA-N 0 2 375.881 3.325 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1C#N ZINC000129823664 564662167 /nfs/dbraw/zinc/66/21/67/564662167.db2.gz XELLUWAZZBZKBM-TVQRCGJNSA-N 0 2 377.828 3.047 10 30 GGEELN CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000065184016 564740315 /nfs/dbraw/zinc/74/03/15/564740315.db2.gz UWUXUNGKIXTXER-UHFFFAOYSA-N 0 2 375.479 3.149 10 30 GGEELN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H](F)C(F)(F)F ZINC000378045150 565510277 /nfs/dbraw/zinc/51/02/77/565510277.db2.gz PDSPVYRFGCFHAR-VXNVDRBHSA-N 0 2 393.690 3.349 10 30 GGEELN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C(F)C(F)(F)F ZINC000378045150 565510278 /nfs/dbraw/zinc/51/02/78/565510278.db2.gz PDSPVYRFGCFHAR-VXNVDRBHSA-N 0 2 393.690 3.349 10 30 GGEELN COc1cc(S(=O)(=O)Nc2cc(Br)ccc2C#N)ccc1F ZINC000191020043 565578743 /nfs/dbraw/zinc/57/87/43/565578743.db2.gz UKGSWEOKTITQQE-UHFFFAOYSA-N 0 2 385.214 3.269 10 30 GGEELN C=CCCCCCN(C)C(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000411250738 565720291 /nfs/dbraw/zinc/72/02/91/565720291.db2.gz GRXJDIIFTIBONI-UHFFFAOYSA-N 0 2 378.523 3.140 10 30 GGEELN C=CCOc1ccc(Br)cc1NS(=O)(=O)CC(C)(C)OC ZINC000414384075 565921141 /nfs/dbraw/zinc/92/11/41/565921141.db2.gz BIRGHEFQCDDXQO-UHFFFAOYSA-N 0 2 378.288 3.181 10 30 GGEELN CC(C)S(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000180980040 566103947 /nfs/dbraw/zinc/10/39/47/566103947.db2.gz ZAPWBVNKTKDVCX-UHFFFAOYSA-N 0 2 398.893 3.195 10 30 GGEELN CCNC(=S)N=NCc1cc(Br)c(O)c(Br)c1 ZINC000252477586 566114274 /nfs/dbraw/zinc/11/42/74/566114274.db2.gz QZFDHXIMYOBBAR-UHFFFAOYSA-N 0 2 381.093 3.146 10 30 GGEELN COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000481903623 566261536 /nfs/dbraw/zinc/26/15/36/566261536.db2.gz ZKWMOFVHHMISKL-UHFFFAOYSA-N 0 2 384.866 3.477 10 30 GGEELN N#Cc1cc(Br)cc(S(=O)(=O)Nc2scnc2C2CC2)c1 ZINC000534970951 566267171 /nfs/dbraw/zinc/26/71/71/566267171.db2.gz FWPPYTZTNRPPAB-UHFFFAOYSA-N 0 2 384.280 3.455 10 30 GGEELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(C)c(SCC#N)s1 ZINC000509220614 566279262 /nfs/dbraw/zinc/27/92/62/566279262.db2.gz RALAXTJPQOWQIS-UHFFFAOYSA-N 0 2 383.520 3.493 10 30 GGEELN Cc1cc(C#N)ccc1S(=O)(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000601959230 566434624 /nfs/dbraw/zinc/43/46/24/566434624.db2.gz HXOVKJODESAQPR-UHFFFAOYSA-N 0 2 398.338 3.173 10 30 GGEELN Cc1ccc(S(=O)(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)o1 ZINC000538008377 566486395 /nfs/dbraw/zinc/48/63/95/566486395.db2.gz NQMDVJGZINGUKY-UHFFFAOYSA-N 0 2 392.487 3.404 10 30 GGEELN N#C[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)c1ccc(Br)cc1 ZINC000485635632 566514359 /nfs/dbraw/zinc/51/43/59/566514359.db2.gz GBHOKYBMFZABAB-HNNXBMFYSA-N 0 2 397.232 3.335 10 30 GGEELN C=CC(C)(C)CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000628315118 566543843 /nfs/dbraw/zinc/54/38/43/566543843.db2.gz ZNGFREJYDYEMKX-UHFFFAOYSA-N 0 2 379.507 3.276 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cc1C#N ZINC000468544938 566709504 /nfs/dbraw/zinc/70/95/04/566709504.db2.gz VOZJGNTZMDJBSW-UHFFFAOYSA-N 0 2 387.305 3.338 10 30 GGEELN CCOc1cc(Br)ccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427266914 566762691 /nfs/dbraw/zinc/76/26/91/566762691.db2.gz LXAZGNPAFOHVDU-UHFFFAOYSA-N 0 2 396.266 3.224 10 30 GGEELN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cnc(C)c(C#N)c3)sc2C1 ZINC000427780927 566797184 /nfs/dbraw/zinc/79/71/84/566797184.db2.gz RKYXWIAKJIKSCT-GFCCVEGCSA-N 0 2 376.507 3.424 10 30 GGEELN N#CCc1ccc(CS(=O)(=O)Nc2nc(C3CCOCC3)cs2)cc1 ZINC000582062701 566828085 /nfs/dbraw/zinc/82/80/85/566828085.db2.gz WPNOJJQQCJTWOG-UHFFFAOYSA-N 0 2 377.491 3.045 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)cc1C#N ZINC000428600968 566861618 /nfs/dbraw/zinc/86/16/18/566861618.db2.gz QBDZLTGMDIHMAK-LURJTMIESA-N 0 2 388.396 3.347 10 30 GGEELN CCOC(=O)c1csc(C(C#N)C(=O)c2sc([C@H](C)OC)nc2C)n1 ZINC000429723732 566945840 /nfs/dbraw/zinc/94/58/40/566945840.db2.gz KXQHDYNQRZMUDU-VHSXEESVSA-N 0 2 379.463 3.282 10 30 GGEELN CCOC(=O)c1csc(C(C#N)C(=O)c2sc([C@H](C)OC)nc2C)n1 ZINC000429723731 566945929 /nfs/dbraw/zinc/94/59/29/566945929.db2.gz KXQHDYNQRZMUDU-UWVGGRQHSA-N 0 2 379.463 3.282 10 30 GGEELN CN(C)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2C#N)c1 ZINC000493357957 566947792 /nfs/dbraw/zinc/94/77/92/566947792.db2.gz HMUPCYHJZXAHHA-UHFFFAOYSA-N 0 2 380.267 3.188 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)cc1C#N ZINC000452228597 566953132 /nfs/dbraw/zinc/95/31/32/566953132.db2.gz OXIKXFXTIZOFSC-VIFPVBQESA-N 0 2 388.396 3.179 10 30 GGEELN C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432770242 567188998 /nfs/dbraw/zinc/18/89/98/567188998.db2.gz GLLDDXVJIGIFRJ-SNVBAGLBSA-N 0 2 395.282 3.289 10 30 GGEELN Cc1nc(NS(=O)(=O)CCCC2CCOCC2)sc1SCC#N ZINC000592382687 567335015 /nfs/dbraw/zinc/33/50/15/567335015.db2.gz ACIVIJBHKMXDNO-UHFFFAOYSA-N 0 2 375.541 3.016 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)Nc2cc(Cl)cnc2OC(C)C)cc1C#N ZINC000456207231 567352254 /nfs/dbraw/zinc/35/22/54/567352254.db2.gz SOCATADCPIWYAG-UHFFFAOYSA-N 0 2 378.841 3.469 10 30 GGEELN N#Cc1sccc1S(=O)(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000593193694 567394252 /nfs/dbraw/zinc/39/42/52/567394252.db2.gz HEBHFISPYOHOAN-UHFFFAOYSA-N 0 2 375.475 3.093 10 30 GGEELN N#Cc1sccc1S(=O)(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000593205084 567396502 /nfs/dbraw/zinc/39/65/02/567396502.db2.gz VPFAHYWEQSLERO-GFCCVEGCSA-N 0 2 382.438 3.117 10 30 GGEELN CC(=O)N(c1ccc(NS(=O)(=O)c2ccsc2C#N)cc1)[C@@H]1C[C@H]1C ZINC000593215544 567399585 /nfs/dbraw/zinc/39/95/85/567399585.db2.gz HWZCZNZHVKLSFS-IAQYHMDHSA-N 0 2 375.475 3.182 10 30 GGEELN CC(=O)N(c1ccc(NS(=O)(=O)c2ccsc2C#N)cc1)[C@@H]1C[C@@H]1C ZINC000593215546 567399631 /nfs/dbraw/zinc/39/96/31/567399631.db2.gz HWZCZNZHVKLSFS-XHDPSFHLSA-N 0 2 375.475 3.182 10 30 GGEELN COC(=O)c1cc(C)sc1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593283930 567403227 /nfs/dbraw/zinc/40/32/27/567403227.db2.gz GOCFBJHDBMDLQM-UHFFFAOYSA-N 0 2 378.475 3.445 10 30 GGEELN N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cn1 ZINC000569959389 567446389 /nfs/dbraw/zinc/44/63/89/567446389.db2.gz IICIXIXHLBJTNB-UHFFFAOYSA-N 0 2 394.243 3.247 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1C#N ZINC000437372644 567494812 /nfs/dbraw/zinc/49/48/12/567494812.db2.gz KMFQRDPZGHFYQU-IINYFYTJSA-N 0 2 377.828 3.459 10 30 GGEELN C=C(C)C[C@H](NC(C)=O)c1nc(-c2cc(F)c(O)c(Br)c2)no1 ZINC000621808796 567611988 /nfs/dbraw/zinc/61/19/88/567611988.db2.gz XFVSJDNCXYOXFH-LBPRGKRZSA-N 0 2 384.205 3.487 10 30 GGEELN CO[C@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)c1ccc(Cl)cc1 ZINC000440087547 567615187 /nfs/dbraw/zinc/61/51/87/567615187.db2.gz CGWREXXASHYFTN-CQSZACIVSA-N 0 2 377.853 3.152 10 30 GGEELN C[C@@H](NC(=O)[C@@H](C)CC#N)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000597438321 567698222 /nfs/dbraw/zinc/69/82/22/567698222.db2.gz DAGISEWJTAGCNW-QWHCGFSZSA-N 0 2 377.491 3.276 10 30 GGEELN Cc1ncc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c(C2CC2)n1 ZINC000532894670 567742521 /nfs/dbraw/zinc/74/25/21/567742521.db2.gz IOBOGFBPMACHBM-UHFFFAOYSA-N 0 2 393.266 3.097 10 30 GGEELN N#CC1(Cc2nc(-c3cc(F)c(O)c(Br)c3)no2)CCOCC1 ZINC000598684186 567781850 /nfs/dbraw/zinc/78/18/50/567781850.db2.gz SLAMVSNTIWZAGO-UHFFFAOYSA-N 0 2 382.189 3.207 10 30 GGEELN O=C(C=CC1=Cc2cc(Cl)ccc2OC1)NS(=O)(=O)c1cccnc1 ZINC000048532307 570252877 /nfs/dbraw/zinc/25/28/77/570252877.db2.gz VRUDUARNFQYDEZ-ZZXKWVIFSA-N 0 2 376.821 3.412 10 30 GGEELN COc1ccc(N=C2SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1 ZINC000252459914 570959574 /nfs/dbraw/zinc/95/95/74/570959574.db2.gz AFFOXGUDAFVOAV-INIZCTEOSA-N 0 2 387.436 3.424 10 30 GGEELN CC(C)(C)c1[nH]n(CC(=O)N2CCC[C@H](C(F)(F)F)C2)c(=O)c1CCC#N ZINC000193674546 1433038337 /nfs/dbraw/zinc/03/83/37/1433038337.db2.gz VANQMAZIBZYZRH-LBPRGKRZSA-N 0 2 386.418 3.143 10 30 GGEELN N#CCOc1ccc(CNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000194010840 1433100776 /nfs/dbraw/zinc/10/07/76/1433100776.db2.gz CEBHNSWTKRNCSO-UHFFFAOYSA-N 0 2 382.807 3.064 10 30 GGEELN Cc1sc2nc3c(C#N)cc(C(=O)c4ccccc4O)cn3c(=O)c2c1C ZINC000006600475 220944804 /nfs/dbraw/zinc/94/48/04/220944804.db2.gz NCIDRDQIQCBFOX-UHFFFAOYSA-N 0 2 375.409 3.334 10 30 GGEELN C=CCCOc1ccc(-c2nnc(CCC(=O)NC3CCCC3)c(=O)[nH]2)cc1 ZINC000034764318 518709386 /nfs/dbraw/zinc/70/93/86/518709386.db2.gz KPTAUZCMMJMANK-UHFFFAOYSA-N 0 2 382.464 3.191 10 30 GGEELN Cc1[nH]n(Cc2ccccc2)c(=O)c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N ZINC000095351605 520890433 /nfs/dbraw/zinc/89/04/33/520890433.db2.gz SJSYEZFNLZPPOT-VQTJNVASSA-N 0 2 387.399 3.376 10 30 GGEELN Cc1cccc(NC(=O)CC2S/C(=N/c3ccc4c(c3)OCO4)N(C)C2=O)c1 ZINC000059245295 524606423 /nfs/dbraw/zinc/60/64/23/524606423.db2.gz WWRHRJAXIWOLPM-MBOBHEEDSA-N 0 2 397.456 3.314 10 30 GGEELN Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccc4c(c3)OCO4)N(C)C2=O)c1 ZINC000059245295 524606429 /nfs/dbraw/zinc/60/64/29/524606429.db2.gz WWRHRJAXIWOLPM-MBOBHEEDSA-N 0 2 397.456 3.314 10 30 GGEELN COc1cccc(/N=C2/SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C)c1 ZINC000101586561 525777220 /nfs/dbraw/zinc/77/72/20/525777220.db2.gz RFTSJWNMQYCMIZ-QKDOTCOFSA-N 0 2 387.436 3.424 10 30 GGEELN COc1cccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)c1 ZINC000101586561 525777237 /nfs/dbraw/zinc/77/72/37/525777237.db2.gz RFTSJWNMQYCMIZ-QKDOTCOFSA-N 0 2 387.436 3.424 10 30 GGEELN O=S(=O)(Nc1nccs1)c1ccc(/N=C/c2ccc(O)cc2O)cc1 ZINC000005150676 564213750 /nfs/dbraw/zinc/21/37/50/564213750.db2.gz VQKZRTZNSUMASL-VCHYOVAHSA-N 0 2 375.431 3.106 10 30 GGEELN O=C(CC1S/C(=N/C2CC2)NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000007126457 564232744 /nfs/dbraw/zinc/23/27/44/564232744.db2.gz MDPIYNXRSGGULH-LLVKDONJSA-N 0 2 391.802 3.437 10 30 GGEELN O=C(C[C@H]1S/C(=N/C2CC2)NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000007126457 564232755 /nfs/dbraw/zinc/23/27/55/564232755.db2.gz MDPIYNXRSGGULH-LLVKDONJSA-N 0 2 391.802 3.437 10 30 GGEELN N#CC1(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CCCC1 ZINC000124811689 564494547 /nfs/dbraw/zinc/49/45/47/564494547.db2.gz SNFQFNOZWYCYNO-UHFFFAOYSA-N 0 2 375.475 3.115 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)N(C)Cc2csc(Br)c2)cc1C#N ZINC000067147905 564785849 /nfs/dbraw/zinc/78/58/49/564785849.db2.gz SYYSBLJTUNMPAS-UHFFFAOYSA-N 0 2 398.307 3.477 10 30 GGEELN N#CCCCOc1cccnc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000069677313 564842861 /nfs/dbraw/zinc/84/28/61/564842861.db2.gz PJFDEQZGAUOGMK-UHFFFAOYSA-N 0 2 376.825 3.090 10 30 GGEELN N#C[C@H](C(=O)c1coc(Br)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000069934874 564848321 /nfs/dbraw/zinc/84/83/21/564848321.db2.gz UPXDCSKUBVHKMQ-LLVKDONJSA-N 0 2 399.208 3.043 10 30 GGEELN N#CC(C(=O)c1coc(Br)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000069934874 564848327 /nfs/dbraw/zinc/84/83/27/564848327.db2.gz UPXDCSKUBVHKMQ-LLVKDONJSA-N 0 2 399.208 3.043 10 30 GGEELN N#Cc1ccc(S(=O)(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cn1 ZINC000555952228 566263285 /nfs/dbraw/zinc/26/32/85/566263285.db2.gz MFWGJVRUDYGLDY-UHFFFAOYSA-N 0 2 390.877 3.455 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)Nc2cc(C)cc(Br)c2O)cc1C#N ZINC000482600728 566321607 /nfs/dbraw/zinc/32/16/07/566321607.db2.gz HSOBIOXVUYNXEQ-UHFFFAOYSA-N 0 2 394.250 3.410 10 30 GGEELN O=S(=O)(Nc1ccc(C(F)(F)F)nn1)c1ccc(F)c(C(F)(F)F)c1 ZINC000484021042 566413116 /nfs/dbraw/zinc/41/31/16/566413116.db2.gz AQEYQTGLIBSCKA-UHFFFAOYSA-N 0 2 389.252 3.454 10 30 GGEELN N#CCc1ccnc(NS(=O)(=O)c2cccc(Br)c2Cl)c1 ZINC000515565459 566720880 /nfs/dbraw/zinc/72/08/80/566720880.db2.gz LFQBMTYTFCUWTC-UHFFFAOYSA-N 0 2 386.658 3.364 10 30 GGEELN COCc1ccccc1CS(=O)(=O)Nc1ccc(Br)cc1C#N ZINC000561757029 566735538 /nfs/dbraw/zinc/73/55/38/566735538.db2.gz FNMHEINSZCYDLX-UHFFFAOYSA-N 0 2 395.278 3.409 10 30 GGEELN Cc1cc(NS(=O)(=O)c2c(C)cc(Br)cc2C)n(CCC#N)n1 ZINC000608927492 566743480 /nfs/dbraw/zinc/74/34/80/566743480.db2.gz XOYGLSVYPFBIBH-UHFFFAOYSA-N 0 2 397.298 3.285 10 30 GGEELN COC(=O)c1sc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)nc1C(C)C ZINC000451095683 566755286 /nfs/dbraw/zinc/75/52/86/566755286.db2.gz MHPAHTVJHMGCCB-UHFFFAOYSA-N 0 2 399.881 3.379 10 30 GGEELN COc1ccc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)cc1Br ZINC000489473590 566790395 /nfs/dbraw/zinc/79/03/95/566790395.db2.gz HMRCZNURYPNDQC-UHFFFAOYSA-N 0 2 394.250 3.404 10 30 GGEELN Cc1ncc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C#N ZINC000427751948 566794307 /nfs/dbraw/zinc/79/43/07/566794307.db2.gz JRLZZMRKJNYEEY-UHFFFAOYSA-N 0 2 391.865 3.234 10 30 GGEELN C=CCOc1ccc(Br)cc1NS(=O)(=O)C[C@H](OC)C1CC1 ZINC000516970599 566796262 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398.777 3.447 10 30 GGEELN COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(Cc3ccc(Cl)cc3)c2)c1 ZINC000003350577 204000752 /nfs/dbraw/zinc/00/07/52/204000752.db2.gz SWTNMYJGWBXEEK-UHFFFAOYSA-N 0 2 394.814 3.367 10 30 GGEELN C=CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000046017779 519166347 /nfs/dbraw/zinc/16/63/47/519166347.db2.gz XEEABPCFBXNCIX-UHFFFAOYSA-N 0 2 382.413 3.328 10 30 GGEELN CCOc1ccc(C(=O)C=C(O)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000101355178 520872373 /nfs/dbraw/zinc/87/23/73/520872373.db2.gz XVSOGMMLBCKRGH-BOPFTXTBSA-N 0 2 386.360 3.265 10 30 GGEELN COc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3F)C(=O)N2C)cc1 ZINC000102408353 523468569 /nfs/dbraw/zinc/46/85/69/523468569.db2.gz OWQLUKORAHUOKP-QQMHEVNUSA-N 0 2 387.436 3.424 10 30 GGEELN COc1ccc(CNC(=O)C[C@H]2S/C(=N/c3ccc(C)cc3)N(C)C2=O)cc1 ZINC000001415927 524054498 /nfs/dbraw/zinc/05/44/98/524054498.db2.gz MTHWACRWUOTEAO-QCLNCQLRSA-N 0 2 397.500 3.271 10 30 GGEELN COc1ccc(CNC(=O)CC2S/C(=N/c3ccc(C)cc3)N(C)C2=O)cc1 ZINC000001415927 524054504 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CNC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N([C@H]2CSC2(C)C)C1=O ZINC000283036080 565807749 /nfs/dbraw/zinc/80/77/49/565807749.db2.gz PZZRIZQZUVOIMA-RGDKSRIKSA-N 0 2 397.591 3.139 10 30 GGEELN CNC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N([C@@H]2CSC2(C)C)C1=O ZINC000283036086 565807919 /nfs/dbraw/zinc/80/79/19/565807919.db2.gz PZZRIZQZUVOIMA-ZUMIFCKISA-N 0 2 397.591 3.139 10 30 GGEELN COc1cc(S(=O)(=O)Nc2ncccc2OCCCC#N)ccc1Cl ZINC000414434151 565931878 /nfs/dbraw/zinc/93/18/78/565931878.db2.gz CPLDDCVRYGFQAM-UHFFFAOYSA-N 0 2 381.841 3.227 10 30 GGEELN Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(C#N)c(Br)cn1 ZINC000180759045 566086797 /nfs/dbraw/zinc/08/67/97/566086797.db2.gz GDMNYFXPVAIIOX-UHFFFAOYSA-N 0 2 386.658 3.478 10 30 GGEELN Cc1nc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)sc1SCC#N ZINC000181311053 566131227 /nfs/dbraw/zinc/13/12/27/566131227.db2.gz YFDZQMOTNLBBBV-UHFFFAOYSA-N 0 2 394.425 3.282 10 30 GGEELN Cc1cc(S(=O)(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c(C)s1 ZINC000510116537 566364935 /nfs/dbraw/zinc/36/49/35/566364935.db2.gz GTDVYAQSQQXANY-UHFFFAOYSA-N 0 2 376.438 3.362 10 30 GGEELN COCc1ccccc1CS(=O)(=O)Nc1nc(C)c(SCC#N)s1 ZINC000576903120 566388605 /nfs/dbraw/zinc/38/86/05/566388605.db2.gz SWWWKQCUSGYACS-UHFFFAOYSA-N 0 2 383.520 3.156 10 30 GGEELN CCc1cc(C(=O)OC)c(NS(=O)(=O)Cc2ccc(CC#N)cc2)s1 ZINC000576992363 566397083 /nfs/dbraw/zinc/39/70/83/566397083.db2.gz KKELVMIWJGHZLW-UHFFFAOYSA-N 0 2 378.475 3.105 10 30 GGEELN CCn1nc(C)c(S(=O)(=O)Nc2ccc(Br)c(C#N)c2C)c1C ZINC000424071556 566509195 /nfs/dbraw/zinc/50/91/95/566509195.db2.gz USBHBFYOFXNQEQ-UHFFFAOYSA-N 0 2 397.298 3.263 10 30 GGEELN N#Cc1ccc2[nH+]cc(/C=C\c3nc(C(=O)[O-])c(Br)s3)n2c1 ZINC000485998778 566547516 /nfs/dbraw/zinc/54/75/16/566547516.db2.gz BHPHTUKWDVMNIM-RQOWECAXSA-N 0 2 375.207 3.294 10 30 GGEELN Cc1ncc(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)F)cc1C#N ZINC000427313433 566766068 /nfs/dbraw/zinc/76/60/68/566766068.db2.gz FIZPQEMQBBBLAT-UHFFFAOYSA-N 0 2 387.795 3.360 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)NCc2cccc(C)c2Br)cc1C#N ZINC000470322267 566863764 /nfs/dbraw/zinc/86/37/64/566863764.db2.gz HRIFQENAAVTKDL-UHFFFAOYSA-N 0 2 392.278 3.382 10 30 GGEELN CCOC(=O)c1csc(C(C#N)C(=O)c2sc([C@@H](C)OC)nc2C)n1 ZINC000429723730 566946670 /nfs/dbraw/zinc/94/66/70/566946670.db2.gz KXQHDYNQRZMUDU-NXEZZACHSA-N 0 2 379.463 3.282 10 30 GGEELN CCOC(=O)c1csc(C(C#N)C(=O)c2sc([C@@H](C)OC)nc2C)n1 ZINC000429723733 566946790 /nfs/dbraw/zinc/94/67/90/566946790.db2.gz KXQHDYNQRZMUDU-ZJUUUORDSA-N 0 2 379.463 3.282 10 30 GGEELN Cc1nc(NS(=O)(=O)Cc2ccc(CC#N)cc2)sc1SCC#N ZINC000583693569 566975339 /nfs/dbraw/zinc/97/53/39/566975339.db2.gz YYTHFMBHOUWXCA-UHFFFAOYSA-N 0 2 378.504 3.075 10 30 GGEELN N#Cc1cc(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)ccc1Cl ZINC000430619700 567024866 /nfs/dbraw/zinc/02/48/66/567024866.db2.gz AINAFAICBNMTEQ-UHFFFAOYSA-N 0 2 378.772 3.202 10 30 GGEELN N#Cc1cc(S(=O)(=O)Nc2noc(-c3ccc(Cl)cc3)n2)ccc1Cl ZINC000566711638 567182759 /nfs/dbraw/zinc/18/27/59/567182759.db2.gz LOIDSPPYHWKPJU-UHFFFAOYSA-N 0 2 395.227 3.138 10 30 GGEELN Cc1nc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc(C2CC2)n1 ZINC000432947169 567207729 /nfs/dbraw/zinc/20/77/29/567207729.db2.gz DVIUGUDBQHEVSJ-UHFFFAOYSA-N 0 2 393.266 3.097 10 30 GGEELN N#Cc1ccc(S(=O)(=O)Nc2nc3cc(F)ccc3[nH]2)cc1Br ZINC000432973233 567211702 /nfs/dbraw/zinc/21/17/02/567211702.db2.gz UXXZTCIBIOFNMX-UHFFFAOYSA-N 0 2 395.213 3.137 10 30 GGEELN CO[C@@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)c1cccc(Cl)c1 ZINC000476463771 567325636 /nfs/dbraw/zinc/32/56/36/567325636.db2.gz VGWZOCQFTPQFHM-AWEZNQCLSA-N 0 2 377.853 3.152 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)cc1C#N ZINC000476456946 567325714 /nfs/dbraw/zinc/32/57/14/567325714.db2.gz JAYKCJOASHUBAS-UHFFFAOYSA-N 0 2 388.396 3.128 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)cc1C#N ZINC000476461227 567326137 /nfs/dbraw/zinc/32/61/37/567326137.db2.gz NNCGAGLWFMRFMA-SNVBAGLBSA-N 0 2 377.853 3.231 10 30 GGEELN N#Cc1cc(Br)ccc1NS(=O)(=O)CCCC1CCOCC1 ZINC000592383449 567335636 /nfs/dbraw/zinc/33/56/36/567335636.db2.gz VNLBSKBQOUVISC-UHFFFAOYSA-N 0 2 387.299 3.269 10 30 GGEELN Cc1ccc(NS(=O)(=O)c2ccsc2C#N)c(OC[C@@H]2CCCO2)c1 ZINC000593197324 567394834 /nfs/dbraw/zinc/39/48/34/567394834.db2.gz WPZNEHPYPDEQKA-ZDUSSCGKSA-N 0 2 378.475 3.287 10 30 GGEELN COC(=O)c1sc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1C ZINC000593200659 567394898 /nfs/dbraw/zinc/39/48/98/567394898.db2.gz VIXXKDFTNQLLOG-UHFFFAOYSA-N 0 2 378.475 3.445 10 30 GGEELN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccsc1C#N ZINC000593201488 567395303 /nfs/dbraw/zinc/39/53/03/567395303.db2.gz XLRGYXFBRHSJDN-UHFFFAOYSA-N 0 2 379.463 3.029 10 30 GGEELN N#Cc1sccc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000593211984 567398290 /nfs/dbraw/zinc/39/82/90/567398290.db2.gz UPDWRUXZALIZRT-NSHDSACASA-N 0 2 398.893 3.489 10 30 GGEELN COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccsc1C#N ZINC000593209818 567398624 /nfs/dbraw/zinc/39/86/24/567398624.db2.gz AXFCNMWCEKJPFV-SNVBAGLBSA-N 0 2 386.882 3.488 10 30 GGEELN N#Cc1ccc(OCCNC(=O)c2cc(Br)cc(Cl)c2O)cc1 ZINC000436775108 567451808 /nfs/dbraw/zinc/45/18/08/567451808.db2.gz YLIKSTDGAGHAAT-UHFFFAOYSA-N 0 2 395.640 3.489 10 30 GGEELN COC(=O)c1sc(C)cc1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000594697732 567500881 /nfs/dbraw/zinc/50/08/81/567500881.db2.gz QKFCIELZNZXHER-UHFFFAOYSA-N 0 2 378.475 3.445 10 30 GGEELN N#Cc1ccccc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551474950 567510712 /nfs/dbraw/zinc/51/07/12/567510712.db2.gz JQGPITMTTHTXGI-UHFFFAOYSA-N 0 2 382.195 3.030 10 30 GGEELN N#Cc1cc(S(=O)(=O)Nc2noc(-c3ccccc3F)n2)ccc1Cl ZINC000571937041 567600638 /nfs/dbraw/zinc/60/06/38/567600638.db2.gz WFJZWXAZYFXLOZ-UHFFFAOYSA-N 0 2 378.772 3.202 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)NCc2cc(Br)ccc2C)cc1C#N ZINC000439962485 567609999 /nfs/dbraw/zinc/60/99/99/567609999.db2.gz QILOJKQXVWIONV-UHFFFAOYSA-N 0 2 392.278 3.382 10 30 GGEELN C=C(C)C[C@@H](NC(C)=O)c1nc(-c2cc(F)c(O)c(Br)c2)no1 ZINC000621808795 567612017 /nfs/dbraw/zinc/61/20/17/567612017.db2.gz XFVSJDNCXYOXFH-GFCCVEGCSA-N 0 2 384.205 3.487 10 30 GGEELN C[C@H](CC#N)C(=O)N[C@H](C)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000597438319 567698584 /nfs/dbraw/zinc/69/85/84/567698584.db2.gz DAGISEWJTAGCNW-CHWSQXEVSA-N 0 2 377.491 3.276 10 30 GGEELN CC(C)(C)c1csc(-n2cc(C(=O)c3ccccc3O)cc(C#N)c2=O)n1 ZINC000014184467 570294983 /nfs/dbraw/zinc/29/49/83/570294983.db2.gz WPMFQGBETHFGLL-UHFFFAOYSA-N 0 2 379.441 3.400 10 30 GGEELN Cc1[nH]n(Cc2ccccc2)c(=O)c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N ZINC000000848865 570661846 /nfs/dbraw/zinc/66/18/46/570661846.db2.gz SJSYEZFNLZPPOT-WOJBJXKFSA-N 0 2 387.399 3.376 10 30 GGEELN COc1ccc(N=C2SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1 ZINC000252459915 570959540 /nfs/dbraw/zinc/95/95/40/570959540.db2.gz AFFOXGUDAFVOAV-MRXNPFEDSA-N 0 2 387.436 3.424 10 30 GGEELN COc1ccc(CNC(=O)C[C@H]2SC(=Nc3ccc(C)cc3)N(C)C2=O)cc1 ZINC000252621120 571033152 /nfs/dbraw/zinc/03/31/52/571033152.db2.gz MTHWACRWUOTEAO-GOSISDBHSA-N 0 2 397.500 3.271 10 30 GGEELN COc1ccc(CNC(=O)CC2SC(=Nc3ccc(C)cc3)N(C)C2=O)cc1 ZINC000252621120 571033156 /nfs/dbraw/zinc/03/31/56/571033156.db2.gz MTHWACRWUOTEAO-GOSISDBHSA-N 0 2 397.500 3.271 10 30 GGEELN COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Cl)cc3)c2)c1 ZINC000003250978 1398330127 /nfs/dbraw/zinc/33/01/27/1398330127.db2.gz TUJIUAQQIUIIFT-UHFFFAOYSA-N 0 2 380.787 3.308 10 30 GGEELN CC[NH+]1CCN(c2ccc(C(=O)/C=C\c3ccc([O-])c([N+](=O)[O-])c3)cc2F)CC1 ZINC000097992797 1410392983 /nfs/dbraw/zinc/39/29/83/1410392983.db2.gz HDAXMJJPJPYLPN-CLTKARDFSA-N 0 2 399.422 3.478 10 30 GGEELN C[C@@H]1CN(c2ccccc2NS(=O)(=O)c2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000125501741 1415215241 /nfs/dbraw/zinc/21/52/41/1415215241.db2.gz GTFWFHXSBOZXNI-OKILXGFUSA-N 0 2 389.452 3.112 10 30 GGEELN CCOc1ccc(S(=O)(=O)NN=Cc2cc(Cl)cc(Cl)c2O)cc1 ZINC000254443883 1433871303 /nfs/dbraw/zinc/87/13/03/1433871303.db2.gz CWWBFXLOUUQQJG-UHFFFAOYSA-N 0 2 389.260 3.410 10 30 GGEELN CNC(=O)CC1SC(=Nc2cc(C)ccc2F)N(CCc2ccccc2)C1=O ZINC000255070474 1433875635 /nfs/dbraw/zinc/87/56/35/1433875635.db2.gz CSTCLHQKXGJPHY-SFHVURJKSA-N 0 2 399.491 3.444 10 30 GGEELN CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(CCc2ccccc2)C1=O ZINC000255070474 1433875637 /nfs/dbraw/zinc/87/56/37/1433875637.db2.gz CSTCLHQKXGJPHY-SFHVURJKSA-N 0 2 399.491 3.444 10 30 GGEELN Cc1sc2nc3c(C#N)cc(C(=O)c4cc(F)ccc4O)cn3c(=O)c2c1C ZINC000014168565 207012443 /nfs/dbraw/zinc/01/24/43/207012443.db2.gz ZOLCGWZOPUQZFR-UHFFFAOYSA-N 0 2 393.399 3.473 10 30 GGEELN N#Cc1c(C(F)(F)F)cc(=O)[nH]c1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000007985203 221019379 /nfs/dbraw/zinc/01/93/79/221019379.db2.gz WOGWWCOPIBBGTN-UHFFFAOYSA-N 0 2 398.322 3.317 10 30 GGEELN CCOC(=O)c1c(C)[nH]c(C(O)=C(C#N)C(=O)c2ccc3cc[nH]c3c2)c1C ZINC000103613481 521381728 /nfs/dbraw/zinc/38/17/28/521381728.db2.gz LAJIDSDDTPGCCR-OAHLLOKOSA-N 0 2 377.400 3.495 10 30 GGEELN CNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(CCCc2ccccc2)C1=O ZINC000020220213 524075775 /nfs/dbraw/zinc/07/57/75/524075775.db2.gz IHXHIALEZOMOQG-GLEDVZQVSA-N 0 2 381.501 3.387 10 30 GGEELN COc1ccc(NC(=O)CC2S/C(=N/c3ccccc3OC)N(C)C2=O)cc1 ZINC000096822709 524519973 /nfs/dbraw/zinc/51/99/73/524519973.db2.gz SPHGFCLDFMGXBG-XGIGFIBQSA-N 0 2 399.472 3.294 10 30 GGEELN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3OC)N(C)C2=O)cc1 ZINC000096822709 524519991 /nfs/dbraw/zinc/51/99/91/524519991.db2.gz SPHGFCLDFMGXBG-XGIGFIBQSA-N 0 2 399.472 3.294 10 30 GGEELN Oc1c(Br)cc(C=NNc2n[nH]c(=S)[nH]2)cc1Br ZINC000006328593 564222292 /nfs/dbraw/zinc/22/22/92/564222292.db2.gz IKEAWMWZROOZTL-KGVSQERTSA-N 0 2 393.064 3.144 10 30 GGEELN CNC(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)N(Cc2cccs2)C1=O ZINC000008204940 564247131 /nfs/dbraw/zinc/24/71/31/564247131.db2.gz RSGKAADWUYIHBL-LVHCJKAXSA-N 0 2 377.466 3.155 10 30 GGEELN CNC(=O)CC1S/C(=N\c2ccc(F)cc2)N(Cc2cccs2)C1=O ZINC000008204940 564247136 /nfs/dbraw/zinc/24/71/36/564247136.db2.gz RSGKAADWUYIHBL-LVHCJKAXSA-N 0 2 377.466 3.155 10 30 GGEELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000129050172 564636730 /nfs/dbraw/zinc/63/67/30/564636730.db2.gz UZVLXQIITFPQMM-UHFFFAOYSA-N 0 2 380.451 3.387 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1C#N ZINC000129824318 564662382 /nfs/dbraw/zinc/66/23/82/564662382.db2.gz XELLUWAZZBZKBM-RNCFNFMXSA-N 0 2 377.828 3.047 10 30 GGEELN Cc1nc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)sc1SCC#N ZINC000066253711 564759935 /nfs/dbraw/zinc/75/99/35/564759935.db2.gz IZTNBXUBHLJMMI-UHFFFAOYSA-N 0 2 384.895 3.393 10 30 GGEELN Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(Cl)c(C#N)c2)o1 ZINC000109421262 565025437 /nfs/dbraw/zinc/02/54/37/565025437.db2.gz GVOCUUKRVPLPSD-UHFFFAOYSA-N 0 2 376.825 3.159 10 30 GGEELN N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000185584625 565209598 /nfs/dbraw/zinc/20/95/98/565209598.db2.gz NWCRRVYVKHNZPK-UHFFFAOYSA-N 0 2 394.243 3.247 10 30 GGEELN N#Cc1cccnc1-n1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000185579881 565209748 /nfs/dbraw/zinc/20/97/48/565209748.db2.gz KMEBFLGCQAGUOE-UHFFFAOYSA-N 0 2 394.243 3.247 10 30 GGEELN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000185957273 565231135 /nfs/dbraw/zinc/23/11/35/565231135.db2.gz OEZKAGYQUPRRDG-UHFFFAOYSA-N 0 2 378.763 3.073 10 30 GGEELN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C#N)cc1OC ZINC000322182051 565609689 /nfs/dbraw/zinc/60/96/89/565609689.db2.gz BDEHSCPCGVRROH-UHFFFAOYSA-N 0 2 397.250 3.139 10 30 GGEELN COc1cc(C#N)ccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000328046108 565634847 /nfs/dbraw/zinc/63/48/47/565634847.db2.gz GFIQJIBMRVMTBZ-UHFFFAOYSA-N 0 2 381.797 3.238 10 30 GGEELN [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+][C@@H]1CCOc2ccc(Br)cc21 ZINC000329611022 565673127 /nfs/dbraw/zinc/67/31/27/565673127.db2.gz NXQSVYPXTKOSED-DGCLKSJQSA-N 0 2 391.269 3.057 10 30 GGEELN [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@@H]1CCOc2ccc(Br)cc21 ZINC000329611022 565673134 /nfs/dbraw/zinc/67/31/34/565673134.db2.gz NXQSVYPXTKOSED-DGCLKSJQSA-N 0 2 391.269 3.057 10 30 GGEELN Cc1nc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)sc1SCC#N ZINC000414435398 565932267 /nfs/dbraw/zinc/93/22/67/565932267.db2.gz FPWIQAFTESHCSS-UHFFFAOYSA-N 0 2 398.491 3.393 10 30 GGEELN COCc1ccccc1CS(=O)(=O)Nc1cc(Br)ccc1C#N ZINC000576903328 566388555 /nfs/dbraw/zinc/38/85/55/566388555.db2.gz CECHVNVMEOVKFH-UHFFFAOYSA-N 0 2 395.278 3.409 10 30 GGEELN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000603971747 566549205 /nfs/dbraw/zinc/54/92/05/566549205.db2.gz PCCZHWSOJJFICT-UHFFFAOYSA-N 0 2 385.228 3.452 10 30 GGEELN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000486565577 566599045 /nfs/dbraw/zinc/59/90/45/566599045.db2.gz MVUGKFNDISBNEZ-UHFFFAOYSA-N 0 2 378.866 3.474 10 30 GGEELN Cc1cc(Br)cnc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000486620980 566605536 /nfs/dbraw/zinc/60/55/36/566605536.db2.gz QBQJBIOTSWLBOM-UHFFFAOYSA-N 0 2 386.658 3.478 10 30 GGEELN N#Cc1cc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)ccc1Cl ZINC000560452492 566627247 /nfs/dbraw/zinc/62/72/47/566627247.db2.gz OTAPYFJKBKIVCG-UHFFFAOYSA-N 0 2 383.882 3.363 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)NCc2ccsc2Br)cc1C#N ZINC000514010898 566638186 /nfs/dbraw/zinc/63/81/86/566638186.db2.gz HGQIGAJVRUKPBG-UHFFFAOYSA-N 0 2 384.280 3.135 10 30 GGEELN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000609609301 566775305 /nfs/dbraw/zinc/77/53/05/566775305.db2.gz GIHGSQFLHDALDM-UHFFFAOYSA-N 0 2 385.228 3.452 10 30 GGEELN COC[C@@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)c1ccc(Cl)cc1 ZINC000428067320 566814503 /nfs/dbraw/zinc/81/45/03/566814503.db2.gz SMCDWAURCVQILO-CQSZACIVSA-N 0 2 377.853 3.152 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)cc1C#N ZINC000428600975 566860950 /nfs/dbraw/zinc/86/09/50/566860950.db2.gz QBDZLTGMDIHMAK-ZCFIWIBFSA-N 0 2 388.396 3.347 10 30 GGEELN C=C(C)COc1cccc(NS(=O)(=O)c2c(C(F)(F)F)cnn2C)c1 ZINC000634788660 567060662 /nfs/dbraw/zinc/06/06/62/567060662.db2.gz CVLOYWDIDXEJOG-UHFFFAOYSA-N 0 2 375.372 3.195 10 30 GGEELN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C(F)(F)F)n1 ZINC000614290631 567099960 /nfs/dbraw/zinc/09/99/60/567099960.db2.gz ZASQSWDTUUERTQ-UHFFFAOYSA-N 0 2 391.758 3.435 10 30 GGEELN COc1cc(Br)cc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)c1 ZINC000499066924 567220977 /nfs/dbraw/zinc/22/09/77/567220977.db2.gz FQMDHSASBYNFSQ-UHFFFAOYSA-N 0 2 394.250 3.404 10 30 GGEELN COc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000616252783 567234933 /nfs/dbraw/zinc/23/49/33/567234933.db2.gz LNNIXKZGYUKTOV-UHFFFAOYSA-N 0 2 391.758 3.435 10 30 GGEELN COc1cc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)ccc1Br ZINC000476567231 567336514 /nfs/dbraw/zinc/33/65/14/567336514.db2.gz QHNLDHQZHKGJSX-UHFFFAOYSA-N 0 2 394.250 3.404 10 30 GGEELN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593194463 567395434 /nfs/dbraw/zinc/39/54/34/567395434.db2.gz NRDVXBGPYQJLRM-UHFFFAOYSA-N 0 2 377.491 3.339 10 30 GGEELN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccsc2C#N)cc1Cl ZINC000593199884 567395531 /nfs/dbraw/zinc/39/55/31/567395531.db2.gz KDXBUGDVYXSLJK-UHFFFAOYSA-N 0 2 397.909 3.460 10 30 GGEELN Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1ccsc1C#N ZINC000593201086 567395850 /nfs/dbraw/zinc/39/58/50/567395850.db2.gz VBTKSMADWFEZSU-UHFFFAOYSA-N 0 2 377.491 3.115 10 30 GGEELN CC(C)(C)[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccsc2C#N)c1 ZINC000593203525 567396556 /nfs/dbraw/zinc/39/65/56/567396556.db2.gz MIPCXIZCVQRHJY-QHCPKHFHSA-N 0 2 382.532 3.468 10 30 GGEELN CC(C)(C)OC(=O)Cc1cccc(NS(=O)(=O)c2ccsc2C#N)c1 ZINC000593204932 567396756 /nfs/dbraw/zinc/39/67/56/567396756.db2.gz CTNNQFYZSXCJTC-UHFFFAOYSA-N 0 2 378.475 3.305 10 30 GGEELN CC(=O)N(Cc1ccc(NS(=O)(=O)c2ccsc2C#N)cc1)C(C)C ZINC000593204112 567397021 /nfs/dbraw/zinc/39/70/21/567397021.db2.gz URWSRPNCGQLHEX-UHFFFAOYSA-N 0 2 377.491 3.177 10 30 GGEELN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccsc1C#N ZINC000593209816 567397548 /nfs/dbraw/zinc/39/75/48/567397548.db2.gz AXFCNMWCEKJPFV-JTQLQIEISA-N 0 2 386.882 3.488 10 30 GGEELN Cc1ccc(NS(=O)(=O)c2ccsc2C#N)cc1C(=O)N(C)C(C)C ZINC000593211985 567397782 /nfs/dbraw/zinc/39/77/82/567397782.db2.gz UPSJFMFIXBAHAP-UHFFFAOYSA-N 0 2 377.491 3.209 10 30 GGEELN COC(=O)CCSCc1cccc(NS(=O)(=O)c2ccsc2C#N)c1 ZINC000593211855 567398144 /nfs/dbraw/zinc/39/81/44/567398144.db2.gz QFKHLUZTKNEKDA-UHFFFAOYSA-N 0 2 396.515 3.217 10 30 GGEELN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593209856 567398517 /nfs/dbraw/zinc/39/85/17/567398517.db2.gz BSVFBBVJXPSHOY-UHFFFAOYSA-N 0 2 378.475 3.445 10 30 GGEELN CCOCCOc1ccc(Cl)cc1NS(=O)(=O)c1ccsc1C#N ZINC000593208003 567398530 /nfs/dbraw/zinc/39/85/30/567398530.db2.gz IPUFILMJSAKWEB-UHFFFAOYSA-N 0 2 386.882 3.489 10 30 GGEELN N#Cc1sccc1S(=O)(=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC000593214559 567398640 /nfs/dbraw/zinc/39/86/40/567398640.db2.gz FHOCWJVCWMVKFC-UHFFFAOYSA-N 0 2 382.438 3.117 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2ccc(Br)cn2)cc1C#N ZINC000477784981 567417345 /nfs/dbraw/zinc/41/73/45/567417345.db2.gz RNMDIMHJTKQXIZ-MRVPVSSYSA-N 0 2 393.266 3.029 10 30 GGEELN N#C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(Br)cc1 ZINC000436946487 567468867 /nfs/dbraw/zinc/46/88/67/567468867.db2.gz JFGPFOAKCLBPPG-ZDUSSCGKSA-N 0 2 376.166 3.058 10 30 GGEELN N#Cc1ccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000551114373 567480015 /nfs/dbraw/zinc/48/00/15/567480015.db2.gz LQDUHVCPLYHWSM-UHFFFAOYSA-N 0 2 388.224 3.091 10 30 GGEELN N#Cc1ccc(S(=O)(=O)NC(CCC(F)(F)F)CCC(F)(F)F)o1 ZINC000594868892 567522882 /nfs/dbraw/zinc/52/28/82/567522882.db2.gz XAHSLFASLAEQRU-UHFFFAOYSA-N 0 2 378.294 3.483 10 30 GGEELN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cnc2c(Br)cccn12 ZINC000460645762 567695421 /nfs/dbraw/zinc/69/54/21/567695421.db2.gz BCUOVXSPLGDCNB-UHFFFAOYSA-N 0 2 391.250 3.078 10 30 GGEELN N#Cc1cccc(-c2nnc(NS(=O)(=O)c3c(F)cccc3Cl)o2)c1 ZINC000508249424 567739032 /nfs/dbraw/zinc/73/90/32/567739032.db2.gz QSZZHCACNKOKRE-UHFFFAOYSA-N 0 2 378.772 3.202 10 30 GGEELN C=CCCc1ccccc1NS(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000443425179 567756722 /nfs/dbraw/zinc/75/67/22/567756722.db2.gz XPVPFIKRUBKVPE-UHFFFAOYSA-N 0 2 378.519 3.346 10 30 GGEELN Cc1cccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1C#N ZINC000574589891 567787108 /nfs/dbraw/zinc/78/71/08/567787108.db2.gz KAMAGFHUOTUCNO-UHFFFAOYSA-N 0 2 396.222 3.338 10 30 GGEELN O=C(NS(=O)(=O)c1cccnc1)c1ccccc1SC[C@@H]1CCCO1 ZINC000048532223 570252852 /nfs/dbraw/zinc/25/28/52/570252852.db2.gz YWGWYOKUXXHMMY-ZDUSSCGKSA-N 0 2 378.475 3.046 10 30 GGEELN COc1ccc(C=[NH+]Nc2nnc(SCc3ccc([N+](=O)[O-])cc3)[n-]2)cc1 ZINC000009695130 570560680 /nfs/dbraw/zinc/56/06/80/570560680.db2.gz SBIADXBNGBDDCW-VCHYOVAHSA-N 0 2 384.421 3.460 10 30 GGEELN CCn1c2ccccc2c2nnc(N=NCc3cccc([N+](=O)[O-])c3O)nc21 ZINC000252592804 571002441 /nfs/dbraw/zinc/00/24/41/571002441.db2.gz BHQIKEBHIRZJMP-UHFFFAOYSA-N 0 2 377.364 3.059 10 30 GGEELN CC(=O)c1cccc(NC(=O)CC2SC(=NN=Cc3ccco3)NC2=O)c1 ZINC000252597047 571004286 /nfs/dbraw/zinc/00/42/86/571004286.db2.gz COIDXNQONGHPJZ-HNNXBMFYSA-N 0 2 384.417 3.273 10 30 GGEELN CC(=O)c1cccc(NC(=O)C[C@@H]2SC(=NN=Cc3ccco3)NC2=O)c1 ZINC000252597047 571004289 /nfs/dbraw/zinc/00/42/89/571004289.db2.gz COIDXNQONGHPJZ-HNNXBMFYSA-N 0 2 384.417 3.273 10 30 GGEELN Cc1cccc(C)c1NC(=O)CC1SC(=Nc2ccccc2)N(CCO)C1=O ZINC000252600933 571005254 /nfs/dbraw/zinc/00/52/54/571005254.db2.gz DWCUNMLIGGOJLI-QGZVFWFLSA-N 0 2 397.500 3.256 10 30 GGEELN Cc1cccc(C)c1NC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCO)C1=O ZINC000252600933 571005259 /nfs/dbraw/zinc/00/52/59/571005259.db2.gz DWCUNMLIGGOJLI-QGZVFWFLSA-N 0 2 397.500 3.256 10 30 GGEELN Cc1ccc(F)cc1NC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N ZINC000012985718 1399071201 /nfs/dbraw/zinc/07/12/01/1399071201.db2.gz XIOZIAZQZYODSS-UHFFFAOYSA-N 0 2 385.342 3.444 10 30 GGEELN CNC(=O)CC1SC(=Nc2cc(C)ccc2F)N(CCc2ccccc2)C1=O ZINC000255070473 1433875651 /nfs/dbraw/zinc/87/56/51/1433875651.db2.gz CSTCLHQKXGJPHY-GOSISDBHSA-N 0 2 399.491 3.444 10 30 GGEELN CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(CCc2ccccc2)C1=O ZINC000255070473 1433875652 /nfs/dbraw/zinc/87/56/52/1433875652.db2.gz CSTCLHQKXGJPHY-GOSISDBHSA-N 0 2 399.491 3.444 10 30 GGEELN N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)cc1 ZINC000045961633 210829705 /nfs/dbraw/zinc/82/97/05/210829705.db2.gz MNXLEBDANZGDSU-UHFFFAOYSA-N 0 2 375.475 3.047 10 30 GGEELN CCCCCCCCCCCCCC[C@H](O)[C@@H](O)[C@H]([NH3+])CO[P@@](=O)([O-])O ZINC000095636496 520008198 /nfs/dbraw/zinc/00/81/98/520008198.db2.gz AYGOSKULTISFCW-SQNIBIBYSA-N 0 2 397.493 3.236 10 30 in-vitro GGEELN CCCCCCCCCCCCCC[C@H](O)[C@@H](O)[C@H]([NH3+])CO[P@](=O)([O-])O ZINC000095636496 520008204 /nfs/dbraw/zinc/00/82/04/520008204.db2.gz AYGOSKULTISFCW-SQNIBIBYSA-N 0 2 397.493 3.236 10 30 in-vitro GGEELN CCOc1ccc(C(=O)C=C(O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000101355175 520872634 /nfs/dbraw/zinc/87/26/34/520872634.db2.gz DNUMJXKFGZMTHF-BOPFTXTBSA-N 0 2 386.360 3.265 10 30 GGEELN COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1 ZINC000097401154 523466907 /nfs/dbraw/zinc/46/69/07/523466907.db2.gz AFFOXGUDAFVOAV-QKDOTCOFSA-N 0 2 387.436 3.424 10 30 GGEELN COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1 ZINC000097401156 523467448 /nfs/dbraw/zinc/46/74/48/523467448.db2.gz AFFOXGUDAFVOAV-UFIXSJTLSA-N 0 2 387.436 3.424 10 30 GGEELN COc1ccc(NC(=O)CC2S/C(=N/c3cccc(F)c3)N(C)C2=O)cc1 ZINC000102406974 524519671 /nfs/dbraw/zinc/51/96/71/524519671.db2.gz KHOLOIGNIWKXOQ-QKDOTCOFSA-N 0 2 387.436 3.424 10 30 GGEELN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(F)c3)N(C)C2=O)cc1 ZINC000102406974 524519692 /nfs/dbraw/zinc/51/96/92/524519692.db2.gz KHOLOIGNIWKXOQ-QKDOTCOFSA-N 0 2 387.436 3.424 10 30 GGEELN COc1ccc(NC(=O)CC2S/C(=N/c3ccccc3OC)N(C)C2=O)cc1 ZINC000096822710 524523206 /nfs/dbraw/zinc/52/32/06/524523206.db2.gz SPHGFCLDFMGXBG-MBOBHEEDSA-N 0 2 399.472 3.294 10 30 GGEELN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3OC)N(C)C2=O)cc1 ZINC000096822710 524523212 /nfs/dbraw/zinc/52/32/12/524523212.db2.gz SPHGFCLDFMGXBG-MBOBHEEDSA-N 0 2 399.472 3.294 10 30 GGEELN Cc1ccccc1NC(=O)CC1S/C(=N\c2ccc3c(c2)OCCO3)NC1=O ZINC000005932131 525243546 /nfs/dbraw/zinc/24/35/46/525243546.db2.gz PZDSBDMXPNWHKL-KRWDZBQOSA-N 0 2 397.456 3.014 10 30 GGEELN Cc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccc3c(c2)OCCO3)NC1=O ZINC000005932131 525243554 /nfs/dbraw/zinc/24/35/54/525243554.db2.gz PZDSBDMXPNWHKL-KRWDZBQOSA-N 0 2 397.456 3.014 10 30 GGEELN NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(CCc2ccc(Cl)cc2)C1=O ZINC000020508855 526905646 /nfs/dbraw/zinc/90/56/46/526905646.db2.gz DSLYGNABNJKBTK-VFOOBRQFSA-N 0 2 387.892 3.390 10 30 GGEELN O=C(CC1S/C(=N/N=C\c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 ZINC000028050167 527144556 /nfs/dbraw/zinc/14/45/56/527144556.db2.gz CIRMKUGXTNXPQD-PFHZTYADSA-N 0 2 386.864 3.290 10 30 GGEELN O=C(C[C@@H]1S/C(=N/N=C\c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 ZINC000028050167 527144562 /nfs/dbraw/zinc/14/45/62/527144562.db2.gz CIRMKUGXTNXPQD-PFHZTYADSA-N 0 2 386.864 3.290 10 30 GGEELN Cc1cc(C#N)ccc1S(=O)(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC000072301888 564861902 /nfs/dbraw/zinc/86/19/02/564861902.db2.gz LQRAUMCQASZNRR-UHFFFAOYSA-N 0 2 391.250 3.306 10 30 GGEELN C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000153982848 565020527 /nfs/dbraw/zinc/02/05/27/565020527.db2.gz LYNZDRWHWSLRJY-JTQLQIEISA-N 0 2 395.282 3.289 10 30 GGEELN N#Cc1cc(S(=O)(=O)Nc2ccnn2-c2cccc(F)c2)ccc1Cl ZINC000185138780 565180134 /nfs/dbraw/zinc/18/01/34/565180134.db2.gz JGCNXLZVPSBVBW-UHFFFAOYSA-N 0 2 376.800 3.337 10 30 GGEELN N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)s1 ZINC000373744728 565300757 /nfs/dbraw/zinc/30/07/57/565300757.db2.gz OBYPIHSDAMTDCU-UHFFFAOYSA-N 0 2 382.373 3.408 10 30 GGEELN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H](F)C(F)(F)F ZINC000378045127 565509924 /nfs/dbraw/zinc/50/99/24/565509924.db2.gz PDSPVYRFGCFHAR-APPZFPTMSA-N 0 2 393.690 3.349 10 30 GGEELN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C(F)C(F)(F)F ZINC000378045127 565509941 /nfs/dbraw/zinc/50/99/41/565509941.db2.gz PDSPVYRFGCFHAR-APPZFPTMSA-N 0 2 393.690 3.349 10 30 GGEELN Cc1nc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1Br ZINC000174326997 565629817 /nfs/dbraw/zinc/62/98/17/565629817.db2.gz ONBKWLYVNLTIKY-UHFFFAOYSA-N 0 2 386.658 3.478 10 30 GGEELN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000410402260 565683027 /nfs/dbraw/zinc/68/30/27/565683027.db2.gz BLSYZPWPBSLIMX-UHFFFAOYSA-N 0 2 381.797 3.319 10 30 GGEELN N#Cc1ccc(CS(=O)(=O)c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1F ZINC000195114884 565859277 /nfs/dbraw/zinc/85/92/77/565859277.db2.gz DDTJMUBADYNNBK-UHFFFAOYSA-N 0 2 376.800 3.110 10 30 GGEELN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c([N+](=O)[O-])c1 ZINC000182735392 566222064 /nfs/dbraw/zinc/22/20/64/566222064.db2.gz VSBWHTUXXZJEFW-UHFFFAOYSA-N 0 2 381.797 3.319 10 30 GGEELN COc1c(C)cc(C)cc1S(=O)(=O)Nc1cc(C#N)c(Br)cn1 ZINC000509217782 566277430 /nfs/dbraw/zinc/27/74/30/566277430.db2.gz CICAEJGMOCXVFT-UHFFFAOYSA-N 0 2 396.266 3.142 10 30 GGEELN N#Cc1cncc(S(=O)(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1 ZINC000575963423 566301333 /nfs/dbraw/zinc/30/13/33/566301333.db2.gz WBYKJUVWZBHWOI-UHFFFAOYSA-N 0 2 390.877 3.455 10 30 GGEELN COC(=O)c1sc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)nc1C1CC1 ZINC000535387779 566302055 /nfs/dbraw/zinc/30/20/55/566302055.db2.gz MYPZQNRPANUUFM-UHFFFAOYSA-N 0 2 397.865 3.133 10 30 GGEELN O=S(=O)(Nc1cc(C(F)(F)F)[nH]n1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447795807 566431787 /nfs/dbraw/zinc/43/17/87/566431787.db2.gz RGIBSOMVRBIJCG-UHFFFAOYSA-N 0 2 377.241 3.387 10 30 GGEELN N#C[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)c1ccc(Br)cc1 ZINC000485635634 566514499 /nfs/dbraw/zinc/51/44/99/566514499.db2.gz GBHOKYBMFZABAB-OAHLLOKOSA-N 0 2 397.232 3.335 10 30 GGEELN N#C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(Br)c1 ZINC000539465032 566583332 /nfs/dbraw/zinc/58/33/32/566583332.db2.gz DEZNSJSMCZFFBJ-LBPRGKRZSA-N 0 2 376.166 3.058 10 30 GGEELN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000486556530 566597597 /nfs/dbraw/zinc/59/75/97/566597597.db2.gz DODQLBUEJKEZEC-UHFFFAOYSA-N 0 2 378.866 3.474 10 30 GGEELN N#Cc1cc(Br)cc(S(=O)(=O)Nc2nc3cc(F)ccc3[nH]2)c1 ZINC000486567347 566599521 /nfs/dbraw/zinc/59/95/21/566599521.db2.gz QWYPTBRXTCCVSL-UHFFFAOYSA-N 0 2 395.213 3.137 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)NCCc2ccc(Br)cc2)cc1C#N ZINC000609772652 566785569 /nfs/dbraw/zinc/78/55/69/566785569.db2.gz XWCOEXDQXPPPQJ-UHFFFAOYSA-N 0 2 392.278 3.116 10 30 GGEELN CCC[C@H]1CCc2nc(NS(=O)(=O)c3cnc(C)c(C#N)c3)sc2C1 ZINC000427780933 566797819 /nfs/dbraw/zinc/79/78/19/566797819.db2.gz RKYXWIAKJIKSCT-LBPRGKRZSA-N 0 2 376.507 3.424 10 30 GGEELN Cc1nc(NS(=O)(=O)c2cccnc2C(F)(F)F)sc1SCC#N ZINC000582928196 566907624 /nfs/dbraw/zinc/90/76/24/566907624.db2.gz HKMDEQLSGXGRHJ-UHFFFAOYSA-N 0 2 394.425 3.282 10 30 GGEELN N#Cc1cc(S(=O)(=O)Nc2ncc(C3CCOCC3)s2)ccc1Cl ZINC000583363091 566944838 /nfs/dbraw/zinc/94/48/38/566944838.db2.gz UHDZGYKHYNMCMI-UHFFFAOYSA-N 0 2 383.882 3.363 10 30 GGEELN CN1CCc2ccc(S(=O)(=O)Nc3cc(Br)ccc3C#N)cc21 ZINC000471896163 566983361 /nfs/dbraw/zinc/98/33/61/566983361.db2.gz CJMVBEWFHKAVJE-UHFFFAOYSA-N 0 2 392.278 3.114 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)cc1C#N ZINC000430106412 566984039 /nfs/dbraw/zinc/98/40/39/566984039.db2.gz NNCGAGLWFMRFMA-JTQLQIEISA-N 0 2 377.853 3.231 10 30 GGEELN O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)c1ncoc1C(F)(F)F ZINC000633732110 566985702 /nfs/dbraw/zinc/98/57/02/566985702.db2.gz VMFQZUUQSRXNKR-UHFFFAOYSA-N 0 2 382.192 3.451 10 30 GGEELN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000471948056 566988552 /nfs/dbraw/zinc/98/85/52/566988552.db2.gz VURNMJCWDXOGPO-UHFFFAOYSA-N 0 2 396.906 3.323 10 30 GGEELN N#CCc1ccc(CS(=O)(=O)Nc2ncc(C3CCOCC3)s2)cc1 ZINC000564971880 567026374 /nfs/dbraw/zinc/02/63/74/567026374.db2.gz CTIUUMUQRAOQKO-UHFFFAOYSA-N 0 2 377.491 3.045 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)N2Cc3cccc(Br)c3C2)cc1C#N ZINC000613846770 567065847 /nfs/dbraw/zinc/06/58/47/567065847.db2.gz GPNDKTYSURSSCD-UHFFFAOYSA-N 0 2 390.262 3.299 10 30 GGEELN Cc1ncc(S(=O)(=O)Nc2ccc(Br)c(C3CC3)n2)cc1C#N ZINC000566837530 567194336 /nfs/dbraw/zinc/19/43/36/567194336.db2.gz KWYPWDNJKNBQPL-UHFFFAOYSA-N 0 2 393.266 3.097 10 30 GGEELN Cc1c(NS(=O)(=O)c2cc(Br)cc(C#N)c2)[nH]nc1C(C)C ZINC000592384979 567335443 /nfs/dbraw/zinc/33/54/43/567335443.db2.gz FSRJRYLOLQZTGD-UHFFFAOYSA-N 0 2 383.271 3.277 10 30 GGEELN N#Cc1ccc(Br)cc1NS(=O)(=O)CCCC1CCOCC1 ZINC000592383165 567335516 /nfs/dbraw/zinc/33/55/16/567335516.db2.gz KKMBPWNSVBJYEK-UHFFFAOYSA-N 0 2 387.299 3.269 10 30 GGEELN N#Cc1cccc(CC(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)c1 ZINC000568581052 567340422 /nfs/dbraw/zinc/34/04/22/567340422.db2.gz OYHKRQRWNJZXBX-UHFFFAOYSA-N 0 2 399.273 3.442 10 30 GGEELN O=S(=O)(Nc1cc(C(F)(F)F)[nH]n1)c1ccc(F)c(C(F)(F)F)c1 ZINC000435722100 567386169 /nfs/dbraw/zinc/38/61/69/567386169.db2.gz LOQJKNNAKXTZCI-UHFFFAOYSA-N 0 2 377.241 3.387 10 30 GGEELN CC(C)OCCOCc1cccc(NS(=O)(=O)c2ccsc2C#N)c1 ZINC000593199032 567395513 /nfs/dbraw/zinc/39/55/13/567395513.db2.gz YTLGTLHTIPLKGG-UHFFFAOYSA-N 0 2 380.491 3.362 10 30 GGEELN CC(C)(C)S(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccsc2C#N)c1 ZINC000593205015 567397293 /nfs/dbraw/zinc/39/72/93/567397293.db2.gz SVQIDFLHYHYBCO-UHFFFAOYSA-N 0 2 398.531 3.134 10 30 GGEELN N#Cc1sccc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000593211983 567398262 /nfs/dbraw/zinc/39/82/62/567398262.db2.gz UPDWRUXZALIZRT-LLVKDONJSA-N 0 2 398.893 3.489 10 30 GGEELN N#Cc1sccc1S(=O)(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000593214940 567398465 /nfs/dbraw/zinc/39/84/65/567398465.db2.gz VXIROKQANOGYRS-UHFFFAOYSA-N 0 2 387.408 3.298 10 30 GGEELN COC(=O)c1csc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1C ZINC000593210757 567398548 /nfs/dbraw/zinc/39/85/48/567398548.db2.gz QPEBXEZSZVVAEZ-UHFFFAOYSA-N 0 2 378.475 3.445 10 30 GGEELN CC(=O)N(c1ccc(NS(=O)(=O)c2ccsc2C#N)cc1)[C@H]1C[C@@H]1C ZINC000593215545 567400022 /nfs/dbraw/zinc/40/00/22/567400022.db2.gz HWZCZNZHVKLSFS-NHYWBVRUSA-N 0 2 375.475 3.182 10 30 GGEELN CC(C)(C#N)c1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cc1 ZINC000593276881 567401916 /nfs/dbraw/zinc/40/19/16/567401916.db2.gz ZDMQZCXIWDBMOC-UHFFFAOYSA-N 0 2 376.385 3.159 10 30 GGEELN C=CCCCCCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000570291021 567473168 /nfs/dbraw/zinc/47/31/68/567473168.db2.gz CLEYKLBYDZBNGS-UHFFFAOYSA-N 0 2 379.507 3.420 10 30 GGEELN CC(C)CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)nn1 ZINC000594728022 567504968 /nfs/dbraw/zinc/50/49/68/567504968.db2.gz CBBOMURPOVCIDH-UHFFFAOYSA-N 0 2 380.857 3.227 10 30 GGEELN N#Cc1c(Br)cccc1S(=O)(=O)Nc1cncc2c1CCCC2 ZINC000594727095 567505296 /nfs/dbraw/zinc/50/52/96/567505296.db2.gz WXRUZSPVKNAXII-UHFFFAOYSA-N 0 2 392.278 3.395 10 30 GGEELN N#Cc1cscc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000551701016 567529887 /nfs/dbraw/zinc/52/98/87/567529887.db2.gz CMVMBZWEHXLKON-UHFFFAOYSA-N 0 2 390.471 3.129 10 30 GGEELN CNc1ccc(C#N)cc1NS(=O)(=O)c1cc(Br)ccc1OC ZINC000439248007 567576377 /nfs/dbraw/zinc/57/63/77/567576377.db2.gz HTCVMCPXQDYSGA-UHFFFAOYSA-N 0 2 396.266 3.172 10 30 GGEELN C[C@]1(C#N)CCN(C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C1 ZINC000596886466 567662183 /nfs/dbraw/zinc/66/21/83/567662183.db2.gz JPEFOJFLVLSXBR-OAHLLOKOSA-N 0 2 392.282 3.157 10 30 GGEELN Cc1nc(NS(=O)(=O)Cc2ccc(CC#N)cc2)sc1C(F)(F)F ZINC000573090497 567687932 /nfs/dbraw/zinc/68/79/32/567687932.db2.gz FWEXVTIYFTUDOI-UHFFFAOYSA-N 0 2 375.397 3.478 10 30 GGEELN N#CCC1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)C1 ZINC000598037128 567734181 /nfs/dbraw/zinc/73/41/81/567734181.db2.gz SNQSCOKGXBHKHU-UHFFFAOYSA-N 0 2 395.893 3.188 10 30 GGEELN COc1ccc(Nc2nn3cc(C(=O)c4ccccc4O)cnc3c2C#N)cc1 ZINC000006550301 570473430 /nfs/dbraw/zinc/47/34/30/570473430.db2.gz YOTGWPXJCAIGDK-UHFFFAOYSA-N 0 2 385.383 3.290 10 30 GGEELN COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3Cl)c2)c1 ZINC000005863345 570798552 /nfs/dbraw/zinc/79/85/52/570798552.db2.gz CCCFHEYDBDLVQA-UHFFFAOYSA-N 0 2 380.787 3.308 10 30 GGEELN Cc1cccc(C)c1NC(=O)CC1SC(=Nc2ccccc2)N(CCO)C1=O ZINC000252600932 571005061 /nfs/dbraw/zinc/00/50/61/571005061.db2.gz DWCUNMLIGGOJLI-KRWDZBQOSA-N 0 2 397.500 3.256 10 30 GGEELN Cc1cccc(C)c1NC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCO)C1=O ZINC000252600932 571005066 /nfs/dbraw/zinc/00/50/66/571005066.db2.gz DWCUNMLIGGOJLI-KRWDZBQOSA-N 0 2 397.500 3.256 10 30 GGEELN CCOc1ccccc1-n1cc(C(=O)c2cc(OC)ccc2O)cc(C#N)c1=O ZINC000003252329 1398330156 /nfs/dbraw/zinc/33/01/56/1398330156.db2.gz IHXCDHWLSGSAQG-UHFFFAOYSA-N 0 2 390.395 3.053 10 30 GGEELN CCOc1ccc(-n2cc(C(=O)c3cc(OC)ccc3O)cc(C#N)c2=O)cc1 ZINC000003286165 1398332072 /nfs/dbraw/zinc/33/20/72/1398332072.db2.gz LJPWRFTWTCPAHQ-UHFFFAOYSA-N 0 2 390.395 3.053 10 30 GGEELN O=C1Oc2ccccc2C(=O)C1=CNc1ccc(I)cc1 ZINC000102986748 1410816663 /nfs/dbraw/zinc/81/66/63/1410816663.db2.gz IEQYMMPQZUOVJE-UKTHLTGXSA-N 0 2 391.164 3.389 10 30 GGEELN C[C@@H]1CN(c2ccccc2NS(=O)(=O)c2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000125502254 1415215749 /nfs/dbraw/zinc/21/57/49/1415215749.db2.gz GTFWFHXSBOZXNI-ZIAGYGMSSA-N 0 2 389.452 3.112 10 30 GGEELN N#Cc1ccc(OC2CN(C(=O)C3=NN(c4ccc(Cl)cc4)CC3=O)C2)cc1 ZINC000194492289 1433186903 /nfs/dbraw/zinc/18/69/03/1433186903.db2.gz FGIXZUOXKSGIPW-UHFFFAOYSA-N 0 2 394.818 3.006 10 30 GGEELN COc1ccccc1N=C1SC(C)C(=O)N1S(=O)(=O)c1ccccc1C ZINC000254837820 1433872140 /nfs/dbraw/zinc/87/21/40/1433872140.db2.gz UYPNLKRUZFCPKI-ZDUSSCGKSA-N 0 2 390.486 3.344 10 30 GGEELN CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@H](C)CCCC(C)C)[nH]c1=O ZINC000012776199 221229885 /nfs/dbraw/zinc/22/98/85/221229885.db2.gz WMMLYBMEQNJDPO-CYBMUJFWSA-N 0 2 393.509 3.259 10 30 GGEELN CC(C)Cn1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O ZINC000014182421 221302450 /nfs/dbraw/zinc/30/24/50/221302450.db2.gz VXFDPGVIVWNNNT-UHFFFAOYSA-N 0 2 375.222 3.075 10 30 GGEELN CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000065184005 222107378 /nfs/dbraw/zinc/10/73/78/222107378.db2.gz WXXNQYYMAWVOAB-UHFFFAOYSA-N 0 2 375.479 3.149 10 30 GGEELN COc1cccc(/N=C2/SC(CC(=O)Nc3ccccc3F)C(=O)N2C)c1 ZINC000102406725 525778301 /nfs/dbraw/zinc/77/83/01/525778301.db2.gz IDPSDJWAODUDTI-YGCDDZCOSA-N 0 2 387.436 3.424 10 30 GGEELN COc1cccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2C)c1 ZINC000102406725 525778319 /nfs/dbraw/zinc/77/83/19/525778319.db2.gz IDPSDJWAODUDTI-YGCDDZCOSA-N 0 2 387.436 3.424 10 30 GGEELN Cc1csc(C(C#N)C(=O)CSc2nnc(Cc3cccs3)n2C)n1 ZINC000007834829 526427471 /nfs/dbraw/zinc/42/74/71/526427471.db2.gz QMEASBMSMNUYFQ-GFCCVEGCSA-N 0 2 389.531 3.201 10 30 GGEELN Cc1csc([C@H](C#N)C(=O)CSc2nnc(Cc3cccs3)n2C)n1 ZINC000007834829 526427481 /nfs/dbraw/zinc/42/74/81/526427481.db2.gz QMEASBMSMNUYFQ-GFCCVEGCSA-N 0 2 389.531 3.201 10 30 GGEELN NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(CCc2ccc(Cl)cc2)C1=O ZINC000020508858 526909793 /nfs/dbraw/zinc/90/97/93/526909793.db2.gz DSLYGNABNJKBTK-BWORXHKJSA-N 0 2 387.892 3.390 10 30 GGEELN CCCCn1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O ZINC000003251258 564194350 /nfs/dbraw/zinc/19/43/50/564194350.db2.gz UCNRKIGNPMYPKY-UHFFFAOYSA-N 0 2 375.222 3.219 10 30 GGEELN N#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(-c2ccccc2)c1=O ZINC000003292019 564195345 /nfs/dbraw/zinc/19/53/45/564195345.db2.gz NPZYQFFNPHWIMT-UHFFFAOYSA-N 0 2 395.212 3.408 10 30 GGEELN COc1c(Br)cc(F)cc1NS(=O)(=O)c1ccccc1C#N ZINC000023398755 564324199 /nfs/dbraw/zinc/32/41/99/564324199.db2.gz ARCZNQMQIGQFKY-UHFFFAOYSA-N 0 2 385.214 3.269 10 30 GGEELN Cc1nc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)cc(C2CC2)n1 ZINC000127468022 564585438 /nfs/dbraw/zinc/58/54/38/564585438.db2.gz SSJIWZAZMZQYQA-UHFFFAOYSA-N 0 2 393.266 3.097 10 30 GGEELN CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)s1 ZINC000067574715 564794923 /nfs/dbraw/zinc/79/49/23/564794923.db2.gz UTDMGNCQPGLBJA-UHFFFAOYSA-N 0 2 375.841 3.459 10 30 GGEELN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000108252016 565008564 /nfs/dbraw/zinc/00/85/64/565008564.db2.gz UIQDZUZRYGQDBC-SNVBAGLBSA-N 0 2 384.914 3.435 10 30 GGEELN N#Cc1cccnc1-n1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000185581473 565210016 /nfs/dbraw/zinc/21/00/16/565210016.db2.gz HAPHXIQRIRWZQR-UHFFFAOYSA-N 0 2 394.243 3.247 10 30 GGEELN Cc1cc(NS(=O)(=O)c2c(C)cc(Br)cc2C)nn1CCC#N ZINC000271019992 565236542 /nfs/dbraw/zinc/23/65/42/565236542.db2.gz FWBAUCYEPQJTQA-UHFFFAOYSA-N 0 2 397.298 3.285 10 30 GGEELN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)o2)c(C)o1 ZINC000163248341 565341744 /nfs/dbraw/zinc/34/17/44/565341744.db2.gz LEUGNENLDUTDQQ-UHFFFAOYSA-N 0 2 378.797 3.272 10 30 GGEELN O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H](F)C(F)(F)F ZINC000378045142 565510375 /nfs/dbraw/zinc/51/03/75/565510375.db2.gz PDSPVYRFGCFHAR-CBAPKCEASA-N 0 2 393.690 3.349 10 30 GGEELN O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C(F)C(F)(F)F ZINC000378045142 565510378 /nfs/dbraw/zinc/51/03/78/565510378.db2.gz PDSPVYRFGCFHAR-CBAPKCEASA-N 0 2 393.690 3.349 10 30 GGEELN Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)ncc1Br ZINC000175655714 565713489 /nfs/dbraw/zinc/71/34/89/565713489.db2.gz VKFHTDUEDIJDSF-UHFFFAOYSA-N 0 2 386.658 3.478 10 30 GGEELN CC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1Cl ZINC000181199060 566123578 /nfs/dbraw/zinc/12/35/78/566123578.db2.gz OWJARYDLSQPAKS-UHFFFAOYSA-N 0 2 379.781 3.123 10 30 GGEELN CCOC(=O)c1csc(C(C#N)C(=O)c2csc(C(F)(F)F)n2)n1 ZINC000556554566 566311867 /nfs/dbraw/zinc/31/18/67/566311867.db2.gz NUDQPISVIFWVTQ-ZCFIWIBFSA-N 0 2 375.353 3.285 10 30 GGEELN CCOC(=O)c1csc(C(C#N)C(=O)c2csc(C(F)(F)F)n2)n1 ZINC000556554554 566312574 /nfs/dbraw/zinc/31/25/74/566312574.db2.gz NUDQPISVIFWVTQ-LURJTMIESA-N 0 2 375.353 3.285 10 30 GGEELN CCOC(=O)c1c(NS(=O)(=O)c2cc(C)sc2C)c(C#N)cn1CC ZINC000421256693 566360787 /nfs/dbraw/zinc/36/07/87/566360787.db2.gz JKIKLIUFPYHWQH-UHFFFAOYSA-N 0 2 381.479 3.036 10 30 GGEELN Cc1ncc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1C#N ZINC000427765809 566796004 /nfs/dbraw/zinc/79/60/04/566796004.db2.gz YJMUXEPNFSGXQG-UHFFFAOYSA-N 0 2 391.865 3.234 10 30 GGEELN Cc1ncc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc1C#N ZINC000427773855 566796455 /nfs/dbraw/zinc/79/64/55/566796455.db2.gz NHDIJBWYISTTNP-UHFFFAOYSA-N 0 2 393.881 3.178 10 30 GGEELN N#Cc1cc(S(=O)(=O)Nc2nnc(Cc3ccccc3)s2)ccc1Cl ZINC000610612206 566848890 /nfs/dbraw/zinc/84/88/90/566848890.db2.gz PQLZDMDVFVUAPB-UHFFFAOYSA-N 0 2 390.877 3.455 10 30 GGEELN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000611537944 566925222 /nfs/dbraw/zinc/92/52/22/566925222.db2.gz VEKWUPONHNCNOF-UHFFFAOYSA-N 0 2 385.228 3.452 10 30 GGEELN Cc1cc(Br)cc2c(=O)c(-c3noc(CC4(C#N)CC4)n3)c[nH]c12 ZINC000590271104 567217975 /nfs/dbraw/zinc/21/79/75/567217975.db2.gz OBIBCTKFYYRXEF-UHFFFAOYSA-N 0 2 385.221 3.495 10 30 GGEELN Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000684655880 567225134 /nfs/dbraw/zinc/22/51/34/567225134.db2.gz VELJXHQOVUZEFW-UHFFFAOYSA-N 0 2 377.878 3.336 10 30 GGEELN COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c(C(F)(F)F)n1 ZINC000616169723 567231146 /nfs/dbraw/zinc/23/11/46/567231146.db2.gz RZEWOUUVQMKYDD-UHFFFAOYSA-N 0 2 391.758 3.435 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)NC[C@H](C)Oc2ccccc2Cl)cc1C#N ZINC000476486100 567327474 /nfs/dbraw/zinc/32/74/74/567327474.db2.gz JSEACXMEFCQTPX-JTQLQIEISA-N 0 2 377.853 3.231 10 30 GGEELN COc1ncc(S(=O)(=O)Nc2cc(C#N)ccc2OC(C)C)cc1Cl ZINC000592351191 567330718 /nfs/dbraw/zinc/33/07/18/567330718.db2.gz CQRONCRQTJPRQC-UHFFFAOYSA-N 0 2 381.841 3.203 10 30 GGEELN Cc1c(NS(=O)(=O)c2ccc(C#N)c(Br)c2)[nH]nc1C(C)C ZINC000592385255 567335069 /nfs/dbraw/zinc/33/50/69/567335069.db2.gz YRGPDGHYQRLXEO-UHFFFAOYSA-N 0 2 383.271 3.277 10 30 GGEELN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)n2)s1 ZINC000476873962 567355405 /nfs/dbraw/zinc/35/54/05/567355405.db2.gz PURBIPLQMUTECL-UHFFFAOYSA-N 0 2 396.906 3.323 10 30 GGEELN CSc1[nH]c(=O)c(C(=O)Nc2ccc(Cl)cc2NC(C)=O)cc1C#N ZINC000476928012 567358760 /nfs/dbraw/zinc/35/87/60/567358760.db2.gz NLEGFGDNSZSZLF-UHFFFAOYSA-N 0 2 376.825 3.245 10 30 GGEELN CC(C)(C)OC(=O)Cc1ccccc1NS(=O)(=O)c1ccsc1C#N ZINC000593205950 567396226 /nfs/dbraw/zinc/39/62/26/567396226.db2.gz DBLDVYIJMHSTMD-UHFFFAOYSA-N 0 2 378.475 3.305 10 30 GGEELN CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccsc3C#N)ccc21 ZINC000593211344 567397717 /nfs/dbraw/zinc/39/77/17/567397717.db2.gz YXXMHZUJDMMSFR-UHFFFAOYSA-N 0 2 375.475 3.110 10 30 GGEELN CC(C)(C#N)c1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)cc1 ZINC000593276701 567402341 /nfs/dbraw/zinc/40/23/41/567402341.db2.gz VGJUFQTVVCZVKA-UHFFFAOYSA-N 0 2 390.412 3.245 10 30 GGEELN COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c(OC)c1OC ZINC000502780699 567450524 /nfs/dbraw/zinc/45/05/24/567450524.db2.gz GNKPVXWJSNJTGZ-UHFFFAOYSA-N 0 2 382.825 3.038 10 30 GGEELN CCc1cc(Br)c(C)nc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000594729283 567504660 /nfs/dbraw/zinc/50/46/60/567504660.db2.gz MFTZGSRCRMNLFU-UHFFFAOYSA-N 0 2 395.282 3.091 10 30 GGEELN CO[C@@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)c1ccc(Cl)cc1 ZINC000440087543 567615152 /nfs/dbraw/zinc/61/51/52/567615152.db2.gz CGWREXXASHYFTN-AWEZNQCLSA-N 0 2 377.853 3.152 10 30 GGEELN C[C@@]1(C#N)CCN(C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C1 ZINC000596886465 567662189 /nfs/dbraw/zinc/66/21/89/567662189.db2.gz JPEFOJFLVLSXBR-HNNXBMFYSA-N 0 2 392.282 3.157 10 30 GGEELN COCCCCc1cccnc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000461219534 567726566 /nfs/dbraw/zinc/72/65/66/567726566.db2.gz MNGIOFPFJWHOHX-UHFFFAOYSA-N 0 2 379.869 3.377 10 30 GGEELN Cc1nc(NS(=O)(=O)c2cnccc2C(F)(F)F)sc1SCC#N ZINC000443159499 567736097 /nfs/dbraw/zinc/73/60/97/567736097.db2.gz AUIBVCJRKFIFLX-UHFFFAOYSA-N 0 2 394.425 3.282 10 30 GGEELN N#CC1(CS(=O)(=O)NCC(F)(F)c2ccc(Br)cc2)CCC1 ZINC000598625100 567780168 /nfs/dbraw/zinc/78/01/68/567780168.db2.gz NLIGNQVMWPITMT-UHFFFAOYSA-N 0 2 393.253 3.154 10 30 GGEELN O=C(NS(=O)(=O)c1cccnc1)c1ccccc1SC[C@H]1CCCO1 ZINC000048532224 570252866 /nfs/dbraw/zinc/25/28/66/570252866.db2.gz YWGWYOKUXXHMMY-CYBMUJFWSA-N 0 2 378.475 3.046 10 30 GGEELN CC(=O)c1cccc(NC(=O)CC2SC(=NN=Cc3ccco3)NC2=O)c1 ZINC000252597048 571004365 /nfs/dbraw/zinc/00/43/65/571004365.db2.gz COIDXNQONGHPJZ-OAHLLOKOSA-N 0 2 384.417 3.273 10 30 GGEELN CC(=O)c1cccc(NC(=O)C[C@H]2SC(=NN=Cc3ccco3)NC2=O)c1 ZINC000252597048 571004367 /nfs/dbraw/zinc/00/43/67/571004367.db2.gz COIDXNQONGHPJZ-OAHLLOKOSA-N 0 2 384.417 3.273 10 30 GGEELN COc1ccccc1NC(=O)CC1SC(=NN=Cc2ccc(C)o2)NC1=O ZINC000252598980 571004752 /nfs/dbraw/zinc/00/47/52/571004752.db2.gz DGABPRXXXIVIGC-OAHLLOKOSA-N 0 2 386.433 3.387 10 30 GGEELN COc1ccccc1NC(=O)C[C@H]1SC(=NN=Cc2ccc(C)o2)NC1=O ZINC000252598980 571004756 /nfs/dbraw/zinc/00/47/56/571004756.db2.gz DGABPRXXXIVIGC-OAHLLOKOSA-N 0 2 386.433 3.387 10 30 GGEELN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC=C(C)C)cc1 ZINC000254494146 1433871425 /nfs/dbraw/zinc/87/14/25/1433871425.db2.gz JSKFDVVTQPERHH-UHFFFAOYSA-N 0 2 390.421 3.378 10 30 GGEELN